REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hty_1_H DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.047 176.094 -0.079 0.000 1.182 83 V CA 0.000 62.264 62.300 -0.059 0.000 1.235 83 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 84 K N 2.852 123.225 120.400 -0.044 0.000 2.469 84 K HA 0.274 4.594 4.320 0.000 0.000 0.274 84 K C -0.337 176.255 176.600 -0.014 0.000 0.983 84 K CA -0.327 55.941 56.287 -0.031 0.000 0.974 84 K CB 0.488 32.982 32.500 -0.009 0.000 0.913 84 K HN 0.420 nan 8.250 nan 0.000 0.493 85 L N 2.677 123.901 121.223 0.003 0.000 2.369 85 L HA 0.142 4.482 4.340 0.000 0.000 0.279 85 L C -0.276 176.620 176.870 0.044 0.000 1.108 85 L CA 0.551 55.409 54.840 0.030 0.000 0.852 85 L CB 0.365 42.457 42.059 0.055 0.000 1.169 85 L HN 0.727 nan 8.230 nan 0.000 0.452 86 A N 3.472 126.316 122.820 0.039 0.000 2.331 86 A HA 0.616 4.937 4.320 0.000 0.000 0.283 86 A C 0.774 178.386 177.584 0.046 0.000 1.142 86 A CA 0.098 52.159 52.037 0.040 0.000 0.812 86 A CB 0.497 19.514 19.000 0.028 0.000 1.074 86 A HN 0.866 nan 8.150 nan 0.000 0.497 87 G N 0.984 109.814 108.800 0.050 0.000 4.222 87 G HA2 0.158 4.118 3.960 0.000 0.000 0.301 87 G HA3 0.158 4.118 3.960 0.000 0.000 0.301 87 G C 0.484 175.396 174.900 0.020 0.000 1.171 87 G CA 0.221 45.348 45.100 0.045 0.000 0.937 87 G HN 0.927 nan 8.290 nan 0.000 0.557 88 N N -0.180 118.529 118.700 0.015 0.000 2.300 88 N HA -0.058 4.682 4.740 0.000 0.000 0.179 88 N C 1.519 177.024 175.510 -0.008 0.000 1.016 88 N CA 0.463 53.514 53.050 0.001 0.000 0.876 88 N CB -0.050 38.440 38.487 0.005 0.000 0.979 88 N HN 0.254 nan 8.380 nan 0.000 0.432 89 S N 0.149 115.847 115.700 -0.004 0.000 2.596 89 S HA 0.234 4.704 4.470 0.000 0.000 0.260 89 S C 0.117 174.704 174.600 -0.021 0.000 1.336 89 S CA -0.798 57.395 58.200 -0.011 0.000 0.993 89 S CB 1.305 64.500 63.200 -0.008 0.000 0.923 89 S HN 0.155 nan 8.310 nan 0.000 0.567 90 S N 0.356 116.037 115.700 -0.032 0.000 2.690 90 S HA 0.459 4.929 4.470 0.000 0.000 0.291 90 S C 0.107 174.665 174.600 -0.069 0.000 1.138 90 S CA -0.859 57.309 58.200 -0.053 0.000 1.013 90 S CB 0.443 63.610 63.200 -0.056 0.000 1.053 90 S HN 0.623 nan 8.310 nan 0.000 0.539 91 L N 1.617 122.763 121.223 -0.129 0.000 2.559 91 L HA 0.010 4.350 4.340 0.000 0.000 0.282 91 L C 0.081 176.902 176.870 -0.082 0.000 1.232 91 L CA -0.273 54.453 54.840 -0.189 0.000 0.885 91 L CB -0.203 41.560 42.059 -0.494 0.000 1.131 91 L HN 0.688 nan 8.230 nan 0.000 0.498 92 c N 4.461 123.025 118.600 -0.060 0.000 2.652 92 c HA 0.224 4.794 4.570 0.000 0.000 0.412 92 c C -1.495 172.628 174.090 0.055 0.000 1.294 92 c CA -1.089 55.222 56.329 -0.030 0.000 2.127 92 c CB -0.188 42.260 42.510 -0.104 0.000 2.691 92 c HN 0.545 nan 8.230 nan 0.000 0.615 93 P HA 0.443 nan 4.420 nan 0.000 0.275 93 P C -0.773 176.379 177.300 -0.246 0.000 1.227 93 P CA 0.332 63.384 63.100 -0.079 0.000 0.781 93 P CB 0.665 32.323 31.700 -0.070 0.000 0.906 94 I N -1.089 119.227 120.570 -0.424 0.000 3.095 94 I HA 0.484 4.654 4.170 0.000 0.000 0.310 94 I C -0.011 175.847 176.117 -0.430 0.000 1.196 94 I CA -1.037 59.963 61.300 -0.501 0.000 0.985 94 I CB 2.262 39.768 38.000 -0.823 0.000 1.250 94 I HN 0.027 nan 8.210 nan 0.000 0.446 95 N N 1.190 119.668 118.700 -0.369 0.000 2.445 95 N HA 0.344 5.084 4.740 0.000 0.000 0.204 95 N C 0.355 175.798 175.510 -0.111 0.000 1.098 95 N CA 0.627 53.571 53.050 -0.178 0.000 0.859 95 N CB 1.720 40.138 38.487 -0.115 0.000 1.249 95 N HN 0.910 nan 8.380 nan 0.000 0.462 96 G N -0.607 107.956 108.800 -0.394 0.000 2.731 96 G HA2 0.522 4.482 3.960 0.000 0.000 0.309 96 G HA3 0.522 4.482 3.960 0.000 0.000 0.309 96 G C -2.095 172.322 174.900 -0.804 0.000 1.273 96 G CA -0.666 44.208 45.100 -0.376 0.000 0.798 96 G HN 0.057 nan 8.290 nan 0.000 0.509 97 W N -0.116 121.141 121.300 -0.072 0.000 2.883 97 W HA 0.741 5.401 4.660 0.000 0.000 0.335 97 W C 0.094 176.686 176.519 0.122 0.000 1.083 97 W CA -0.644 56.697 57.345 -0.006 0.000 1.233 97 W CB 2.335 31.834 29.460 0.066 0.000 1.412 97 W HN 0.732 nan 8.180 nan 0.000 0.490 98 A N 1.899 124.905 122.820 0.310 0.000 2.325 98 A HA 0.776 5.096 4.320 0.000 0.000 0.333 98 A C -0.387 177.330 177.584 0.222 0.000 1.155 98 A CA -0.885 51.296 52.037 0.240 0.000 0.814 98 A CB 0.575 19.638 19.000 0.104 0.000 1.206 98 A HN 0.756 nan 8.150 nan 0.000 0.482 99 V N 0.764 120.667 119.914 -0.018 0.000 2.529 99 V HA 0.084 4.204 4.120 0.000 0.000 0.292 99 V C 0.613 176.545 176.094 -0.270 0.000 1.028 99 V CA 0.356 62.322 62.300 -0.557 0.000 1.074 99 V CB -0.578 30.838 31.823 -0.678 0.000 0.958 99 V HN 0.925 nan 8.190 nan 0.000 0.481 100 Y N 3.671 123.665 120.300 -0.510 0.000 2.382 100 Y HA 0.335 4.885 4.550 0.000 0.000 0.292 100 Y C 1.384 177.144 175.900 -0.233 0.000 1.151 100 Y CA 0.720 58.672 58.100 -0.247 0.000 1.198 100 Y CB 0.590 38.981 38.460 -0.115 0.000 1.195 100 Y HN 0.905 nan 8.280 nan 0.000 0.530 101 S N -0.083 115.426 115.700 -0.319 0.000 2.638 101 S HA 0.588 5.059 4.470 0.000 0.000 0.274 101 S C -1.425 173.021 174.600 -0.257 0.000 1.157 101 S CA -0.923 57.093 58.200 -0.308 0.000 0.826 101 S CB 2.728 65.763 63.200 -0.274 0.000 1.139 101 S HN 0.162 nan 8.310 nan 0.000 0.474 102 K N 0.706 121.008 120.400 -0.164 0.000 2.606 102 K HA 0.233 4.553 4.320 0.000 0.000 0.259 102 K C -0.770 175.796 176.600 -0.057 0.000 1.001 102 K CA -0.348 55.889 56.287 -0.082 0.000 0.881 102 K CB 1.148 33.633 32.500 -0.024 0.000 1.288 102 K HN 0.770 nan 8.250 nan 0.000 0.452 103 D N 2.944 123.313 120.400 -0.051 0.000 2.289 103 D HA -0.099 4.541 4.640 0.000 0.000 0.207 103 D C 0.022 176.302 176.300 -0.033 0.000 0.966 103 D CA 0.596 54.559 54.000 -0.061 0.000 0.868 103 D CB -0.259 40.484 40.800 -0.095 0.000 0.943 103 D HN 0.799 nan 8.370 nan 0.000 0.514 104 N N -0.631 118.073 118.700 0.005 0.000 2.681 104 N HA -0.281 4.459 4.740 0.000 0.000 0.250 104 N C 0.887 176.405 175.510 0.015 0.000 1.133 104 N CA 0.674 53.742 53.050 0.030 0.000 0.732 104 N CB -1.024 37.481 38.487 0.031 0.000 1.107 104 N HN 0.391 nan 8.380 nan 0.000 0.559 105 S N -0.125 115.565 115.700 -0.016 0.000 2.365 105 S HA -0.205 4.265 4.470 0.000 0.000 0.225 105 S C 1.573 176.170 174.600 -0.005 0.000 1.039 105 S CA 1.436 59.609 58.200 -0.045 0.000 1.033 105 S CB -0.319 62.819 63.200 -0.104 0.000 0.887 105 S HN 0.467 nan 8.310 nan 0.000 0.447 106 I N 1.354 121.952 120.570 0.046 0.000 2.439 106 I HA -0.087 4.083 4.170 0.000 0.000 0.251 106 I C 3.057 179.318 176.117 0.241 0.000 1.139 106 I CA 0.957 62.326 61.300 0.115 0.000 1.438 106 I CB -0.295 37.785 38.000 0.133 0.000 1.085 106 I HN 0.236 nan 8.210 nan 0.000 0.427 107 R N 0.817 121.419 120.500 0.170 0.000 2.066 107 R HA -0.060 4.280 4.340 0.000 0.000 0.232 107 R C 2.344 178.684 176.300 0.067 0.000 1.131 107 R CA 1.340 57.532 56.100 0.154 0.000 0.955 107 R CB -0.193 30.169 30.300 0.103 0.000 0.851 107 R HN 0.300 nan 8.270 nan 0.000 0.432 108 I N -0.205 120.382 120.570 0.029 0.000 2.252 108 I HA -0.147 4.023 4.170 0.000 0.000 0.245 108 I C 2.303 178.392 176.117 -0.046 0.000 1.102 108 I CA 1.348 62.636 61.300 -0.020 0.000 1.385 108 I CB -0.579 37.400 38.000 -0.034 0.000 1.064 108 I HN 0.322 nan 8.210 nan 0.000 0.414 109 G N -0.275 108.512 108.800 -0.022 0.000 2.586 109 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 109 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 109 G C 1.671 176.526 174.900 -0.076 0.000 1.128 109 G CA 0.890 45.960 45.100 -0.051 0.000 0.774 109 G HN 0.375 nan 8.290 nan 0.000 0.543 110 S N -0.363 115.242 115.700 -0.157 0.000 2.399 110 S HA -0.071 4.399 4.470 0.000 0.000 0.231 110 S C 2.078 176.485 174.600 -0.323 0.000 1.022 110 S CA 2.015 59.905 58.200 -0.517 0.000 0.983 110 S CB -0.114 62.730 63.200 -0.592 0.000 0.803 110 S HN 0.572 nan 8.310 nan 0.000 0.480 111 K N -0.814 119.470 120.400 -0.193 0.000 2.424 111 K HA 0.265 4.586 4.320 0.000 0.000 0.200 111 K C 1.053 177.589 176.600 -0.107 0.000 1.279 111 K CA 0.479 56.681 56.287 -0.140 0.000 0.918 111 K CB -0.040 32.393 32.500 -0.112 0.000 1.287 111 K HN 0.306 nan 8.250 nan 0.000 0.502 112 G N 0.921 109.662 108.800 -0.100 0.000 2.634 112 G HA2 0.055 4.015 3.960 0.000 0.000 0.255 112 G HA3 0.055 4.015 3.960 0.000 0.000 0.255 112 G C -0.834 173.984 174.900 -0.138 0.000 1.205 112 G CA -0.370 44.675 45.100 -0.091 0.000 0.884 112 G HN 0.256 nan 8.290 nan 0.000 0.549 113 D N 0.478 120.773 120.400 -0.176 0.000 2.522 113 D HA 0.295 4.935 4.640 0.000 0.000 0.218 113 D C -0.051 175.979 176.300 -0.451 0.000 1.149 113 D CA 0.110 53.920 54.000 -0.316 0.000 0.981 113 D CB 1.041 41.601 40.800 -0.400 0.000 1.041 113 D HN -0.013 nan 8.370 nan 0.000 0.518 114 V N 2.111 121.820 119.914 -0.341 0.000 2.547 114 V HA 0.349 4.469 4.120 0.000 0.000 0.299 114 V C 0.400 176.317 176.094 -0.295 0.000 1.040 114 V CA -0.901 61.202 62.300 -0.328 0.000 0.913 114 V CB 1.348 33.052 31.823 -0.199 0.000 0.992 114 V HN 0.259 nan 8.190 nan 0.000 0.449 115 F N 2.529 122.350 119.950 -0.215 0.000 2.518 115 F HA 0.251 4.778 4.527 0.000 0.000 0.359 115 F C 0.590 176.289 175.800 -0.169 0.000 1.118 115 F CA 0.082 57.984 58.000 -0.164 0.000 1.287 115 F CB 1.224 40.146 39.000 -0.129 0.000 1.132 115 F HN 0.344 nan 8.300 nan 0.000 0.587 116 V N 6.952 126.943 119.914 0.130 0.000 2.488 116 V HA 0.494 4.614 4.120 0.000 0.000 0.277 116 V C -0.292 175.842 176.094 0.067 0.000 1.046 116 V CA -0.251 62.076 62.300 0.044 0.000 0.986 116 V CB 0.234 32.090 31.823 0.055 0.000 0.989 116 V HN 0.627 nan 8.190 nan 0.000 0.475 117 I N 4.895 125.475 120.570 0.017 0.000 3.174 117 I HA 0.826 4.996 4.170 0.000 0.000 0.313 117 I C -0.961 175.171 176.117 0.026 0.000 1.155 117 I CA -1.251 60.056 61.300 0.011 0.000 0.977 117 I CB 2.455 40.378 38.000 -0.129 0.000 1.248 117 I HN 0.448 nan 8.210 nan 0.000 0.453 118 R N 1.878 122.409 120.500 0.051 0.000 2.771 118 R HA 0.315 4.655 4.340 0.000 0.000 0.274 118 R C -1.098 175.243 176.300 0.068 0.000 0.987 118 R CA -0.462 55.656 56.100 0.031 0.000 0.908 118 R CB 1.568 31.877 30.300 0.014 0.000 1.213 118 R HN 0.936 nan 8.270 nan 0.000 0.468 119 E N 0.401 120.642 120.200 0.067 0.000 2.246 119 E HA -0.144 4.206 4.350 0.000 0.000 0.173 119 E C -2.032 174.584 176.600 0.027 0.000 1.532 119 E CA 0.120 56.622 56.400 0.170 0.000 0.672 119 E CB -1.064 28.837 29.700 0.335 0.000 1.078 119 E HN 0.246 nan 8.360 nan 0.000 0.338 120 P HA 0.080 nan 4.420 nan 0.000 0.219 120 P C -0.316 176.537 177.300 -0.745 0.000 1.832 120 P CA -0.421 62.507 63.100 -0.286 0.000 1.014 120 P CB -0.835 30.748 31.700 -0.196 0.000 1.939 121 F N 1.190 120.600 119.950 -0.900 0.000 2.418 121 F HA 0.448 4.975 4.527 0.000 0.000 0.341 121 F C 0.085 175.499 175.800 -0.644 0.000 1.120 121 F CA -1.138 56.018 58.000 -1.407 0.000 1.232 121 F CB 0.159 38.793 39.000 -0.611 0.000 1.175 121 F HN -0.050 nan 8.300 nan 0.000 0.569 122 I N 2.119 122.401 120.570 -0.480 0.000 2.566 122 I HA 0.469 4.639 4.170 0.000 0.000 0.303 122 I C -0.019 176.142 176.117 0.072 0.000 0.983 122 I CA -0.697 60.422 61.300 -0.301 0.000 1.235 122 I CB 1.783 39.318 38.000 -0.776 0.000 1.386 122 I HN 0.787 nan 8.210 nan 0.000 0.494 123 S N 3.156 118.960 115.700 0.175 0.000 2.543 123 S HA 0.533 5.003 4.470 0.000 0.000 0.273 123 S C -1.187 173.746 174.600 0.555 0.000 1.152 123 S CA -0.550 57.916 58.200 0.443 0.000 0.910 123 S CB 1.004 64.521 63.200 0.529 0.000 1.105 123 S HN 0.676 nan 8.310 nan 0.000 0.465 124 c N 2.893 121.795 118.600 0.503 0.000 2.470 124 c HA 0.957 5.528 4.570 0.000 0.000 0.341 124 c C 0.972 175.175 174.090 0.188 0.000 1.190 124 c CA -0.578 55.992 56.329 0.402 0.000 1.904 124 c CB 1.109 43.796 42.510 0.294 0.000 2.354 124 c HN 0.986 nan 8.230 nan 0.000 0.509 125 S N 0.171 115.855 115.700 -0.027 0.000 2.753 125 S HA 0.375 4.845 4.470 0.000 0.000 0.302 125 S C 0.528 175.022 174.600 -0.177 0.000 1.104 125 S CA -0.230 57.666 58.200 -0.506 0.000 0.968 125 S CB 0.176 62.735 63.200 -1.069 0.000 1.278 125 S HN 0.929 nan 8.310 nan 0.000 0.549 126 H N 0.265 119.118 119.070 -0.361 0.000 2.607 126 H HA 0.451 5.008 4.556 0.000 0.000 0.288 126 H C 0.586 175.856 175.328 -0.095 0.000 1.058 126 H CA -0.003 55.960 56.048 -0.142 0.000 1.178 126 H CB -0.640 29.069 29.762 -0.089 0.000 1.340 126 H HN 0.518 nan 8.280 nan 0.000 0.591 127 L N -0.696 120.306 121.223 -0.368 0.000 2.824 127 L HA 0.189 4.529 4.340 0.000 0.000 0.284 127 L C 0.048 176.852 176.870 -0.110 0.000 1.031 127 L CA 0.142 54.802 54.840 -0.300 0.000 1.226 127 L CB 0.706 42.495 42.059 -0.451 0.000 2.283 127 L HN 0.252 nan 8.230 nan 0.000 0.569 128 E N -0.864 119.305 120.200 -0.051 0.000 2.449 128 E HA 0.519 4.869 4.350 0.000 0.000 0.278 128 E C -1.561 175.125 176.600 0.145 0.000 0.992 128 E CA -0.824 55.605 56.400 0.049 0.000 0.807 128 E CB 2.301 32.028 29.700 0.044 0.000 1.350 128 E HN -0.090 nan 8.360 nan 0.000 0.462 129 c N 0.647 119.337 118.600 0.150 0.000 2.417 129 c HA 0.670 5.240 4.570 0.000 0.000 0.324 129 c C -0.266 173.870 174.090 0.077 0.000 1.240 129 c CA -0.490 55.946 56.329 0.179 0.000 1.632 129 c CB 0.502 43.130 42.510 0.198 0.000 2.241 129 c HN 0.602 nan 8.230 nan 0.000 0.499 130 R N 0.796 121.327 120.500 0.053 0.000 2.888 130 R HA 0.699 5.039 4.340 0.000 0.000 0.266 130 R C -0.989 175.164 176.300 -0.245 0.000 1.020 130 R CA -0.532 55.456 56.100 -0.187 0.000 0.963 130 R CB 1.863 31.886 30.300 -0.461 0.000 1.197 130 R HN 0.615 nan 8.270 nan 0.000 0.481 131 T N 2.166 116.501 114.554 -0.364 0.000 2.788 131 T HA 0.424 4.775 4.350 0.000 0.000 0.296 131 T C -0.801 173.620 174.700 -0.465 0.000 1.009 131 T CA -0.363 61.542 62.100 -0.326 0.000 0.949 131 T CB 0.147 68.890 68.868 -0.208 0.000 0.946 131 T HN 0.162 nan 8.240 nan 0.000 0.453 132 F N 3.664 123.147 119.950 -0.778 0.000 2.380 132 F HA 0.792 5.319 4.527 0.000 0.000 0.321 132 F C 0.126 175.455 175.800 -0.786 0.000 1.103 132 F CA -1.057 56.340 58.000 -1.005 0.000 1.067 132 F CB 0.888 39.032 39.000 -1.427 0.000 1.265 132 F HN 0.588 nan 8.300 nan 0.000 0.517 133 F N -1.171 118.532 119.950 -0.411 0.000 2.799 133 F HA 0.637 5.164 4.527 0.000 0.000 0.316 133 F C -2.384 173.305 175.800 -0.185 0.000 1.155 133 F CA -1.723 56.111 58.000 -0.276 0.000 0.916 133 F CB 0.715 39.555 39.000 -0.267 0.000 1.294 133 F HN 0.217 nan 8.300 nan 0.000 0.447 134 L N 1.831 123.128 121.223 0.122 0.000 2.325 134 L HA 0.847 5.187 4.340 0.000 0.000 0.278 134 L C -0.252 176.688 176.870 0.117 0.000 1.023 134 L CA -0.750 54.120 54.840 0.050 0.000 0.811 134 L CB 2.283 44.398 42.059 0.093 0.000 1.249 134 L HN 0.957 nan 8.230 nan 0.000 0.431 135 T N -2.205 112.358 114.554 0.015 0.000 2.900 135 T HA 0.259 4.609 4.350 0.000 0.000 0.295 135 T C 0.168 174.890 174.700 0.036 0.000 1.044 135 T CA -0.812 61.283 62.100 -0.008 0.000 0.995 135 T CB 2.165 70.863 68.868 -0.284 0.000 1.072 135 T HN 0.420 nan 8.240 nan 0.000 0.473 136 Q N 0.869 120.723 119.800 0.090 0.000 2.444 136 Q HA 0.182 4.522 4.340 0.000 0.000 0.206 136 Q C 1.442 177.523 176.000 0.136 0.000 0.948 136 Q CA 1.136 57.020 55.803 0.134 0.000 0.946 136 Q CB 0.094 28.916 28.738 0.140 0.000 1.027 136 Q HN 1.334 nan 8.270 nan 0.000 0.513 137 G N 0.245 109.107 108.800 0.105 0.000 2.203 137 G HA2 -0.134 3.826 3.960 0.000 0.000 0.231 137 G HA3 -0.134 3.826 3.960 0.000 0.000 0.231 137 G C -0.061 174.925 174.900 0.145 0.000 1.058 137 G CA 0.241 45.415 45.100 0.124 0.000 0.781 137 G HN 0.565 nan 8.290 nan 0.000 0.496 138 A N -0.897 122.050 122.820 0.212 0.000 2.569 138 A HA 0.952 5.272 4.320 0.000 0.000 0.290 138 A C -0.422 177.255 177.584 0.156 0.000 1.136 138 A CA -0.811 51.319 52.037 0.156 0.000 0.710 138 A CB 1.366 20.454 19.000 0.147 0.000 1.303 138 A HN 0.872 nan 8.150 nan 0.000 0.413 139 L N 0.504 121.742 121.223 0.026 0.000 2.330 139 L HA 0.510 4.850 4.340 0.000 0.000 0.271 139 L C -0.445 176.347 176.870 -0.129 0.000 1.013 139 L CA -0.813 53.974 54.840 -0.088 0.000 0.816 139 L CB 1.503 43.455 42.059 -0.180 0.000 1.287 139 L HN 0.630 nan 8.230 nan 0.000 0.435 140 L N 2.314 123.417 121.223 -0.201 0.000 2.485 140 L HA 0.030 4.371 4.340 0.000 0.000 0.275 140 L C 0.933 177.661 176.870 -0.238 0.000 1.207 140 L CA 0.240 54.879 54.840 -0.334 0.000 0.855 140 L CB -0.093 41.783 42.059 -0.304 0.000 1.114 140 L HN 0.756 nan 8.230 nan 0.000 0.485 141 N N 0.913 119.443 118.700 -0.282 0.000 2.782 141 N HA -0.196 4.544 4.740 0.000 0.000 0.251 141 N C -0.675 174.784 175.510 -0.085 0.000 1.101 141 N CA 1.093 54.072 53.050 -0.117 0.000 0.764 141 N CB -0.702 37.734 38.487 -0.085 0.000 1.122 141 N HN 0.788 nan 8.380 nan 0.000 0.561 142 D N -0.197 120.150 120.400 -0.089 0.000 2.619 142 D HA 0.277 4.917 4.640 0.000 0.000 0.241 142 D C 1.280 177.559 176.300 -0.035 0.000 1.087 142 D CA -0.539 53.439 54.000 -0.037 0.000 0.851 142 D CB 1.028 41.830 40.800 0.003 0.000 1.474 142 D HN 0.129 nan 8.370 nan 0.000 0.478 143 K N 1.972 122.324 120.400 -0.079 0.000 2.228 143 K HA -0.241 4.079 4.320 0.000 0.000 0.205 143 K C 0.814 177.314 176.600 -0.166 0.000 1.045 143 K CA 1.276 57.479 56.287 -0.140 0.000 0.931 143 K CB -0.268 32.095 32.500 -0.229 0.000 0.727 143 K HN 0.501 nan 8.250 nan 0.000 0.458 144 H N 1.059 120.131 119.070 0.003 0.000 2.563 144 H HA 0.030 4.586 4.556 0.000 0.000 0.272 144 H C 1.339 176.685 175.328 0.030 0.000 1.005 144 H CA 1.238 57.290 56.048 0.007 0.000 1.171 144 H CB 0.199 29.955 29.762 -0.011 0.000 1.351 144 H HN 0.502 nan 8.280 nan 0.000 0.602 145 S N -0.206 115.559 115.700 0.109 0.000 2.634 145 S HA -0.040 4.430 4.470 0.000 0.000 0.221 145 S C 1.588 176.288 174.600 0.166 0.000 0.952 145 S CA -0.342 57.929 58.200 0.117 0.000 0.930 145 S CB 0.008 63.221 63.200 0.022 0.000 0.780 145 S HN 0.226 nan 8.310 nan 0.000 0.498 146 N N 2.522 121.294 118.700 0.119 0.000 2.242 146 N HA -0.164 4.576 4.740 0.000 0.000 0.191 146 N C 1.670 177.243 175.510 0.105 0.000 1.005 146 N CA 1.436 54.549 53.050 0.105 0.000 0.877 146 N CB -1.049 37.472 38.487 0.056 0.000 0.983 146 N HN 0.763 nan 8.380 nan 0.000 0.439 147 G N -0.740 108.129 108.800 0.114 0.000 2.230 147 G HA2 -0.399 3.561 3.960 0.000 0.000 0.270 147 G HA3 -0.399 3.561 3.960 0.000 0.000 0.270 147 G C 1.062 175.994 174.900 0.053 0.000 0.987 147 G CA 1.791 46.946 45.100 0.092 0.000 0.664 147 G HN 0.592 nan 8.290 nan 0.000 0.539 148 T N -1.841 112.740 114.554 0.045 0.000 3.072 148 T HA 0.331 4.681 4.350 0.000 0.000 0.266 148 T C 1.307 176.023 174.700 0.027 0.000 1.127 148 T CA 0.634 62.748 62.100 0.024 0.000 1.107 148 T CB 0.083 68.961 68.868 0.018 0.000 0.910 148 T HN 0.593 nan 8.240 nan 0.000 0.513 149 V N 2.883 122.825 119.914 0.047 0.000 2.999 149 V HA 0.106 4.226 4.120 0.000 0.000 0.307 149 V C 0.728 176.838 176.094 0.027 0.000 1.084 149 V CA -1.009 61.322 62.300 0.052 0.000 1.155 149 V CB 0.063 31.942 31.823 0.095 0.000 0.975 149 V HN 0.630 nan 8.190 nan 0.000 0.490 150 K N 2.570 122.972 120.400 0.004 0.000 2.485 150 K HA 0.073 4.393 4.320 0.000 0.000 0.277 150 K C 0.448 177.026 176.600 -0.037 0.000 0.990 150 K CA -0.151 56.115 56.287 -0.036 0.000 0.994 150 K CB 0.341 32.795 32.500 -0.077 0.000 0.906 150 K HN 0.556 nan 8.250 nan 0.000 0.488 151 D N 1.968 122.339 120.400 -0.049 0.000 2.149 151 D HA -0.160 4.480 4.640 0.000 0.000 0.198 151 D C 0.208 176.475 176.300 -0.055 0.000 0.990 151 D CA 1.485 55.471 54.000 -0.024 0.000 0.839 151 D CB 0.142 40.933 40.800 -0.015 0.000 0.948 151 D HN 0.497 nan 8.370 nan 0.000 0.460 152 R N 1.334 121.689 120.500 -0.242 0.000 3.436 152 R HA 0.178 4.518 4.340 0.000 0.000 0.247 152 R C 0.122 176.214 176.300 -0.348 0.000 1.434 152 R CA -0.255 55.520 56.100 -0.541 0.000 1.543 152 R CB 0.796 30.263 30.300 -1.388 0.000 1.289 152 R HN 0.021 nan 8.270 nan 0.000 0.664 153 S N 0.275 115.936 115.700 -0.064 0.000 2.693 153 S HA 0.385 4.855 4.470 0.000 0.000 0.276 153 S C -1.457 173.142 174.600 -0.003 0.000 1.192 153 S CA -1.267 56.905 58.200 -0.047 0.000 0.994 153 S CB 1.434 64.646 63.200 0.020 0.000 1.012 153 S HN 0.182 nan 8.310 nan 0.000 0.550 154 P HA 0.052 nan 4.420 nan 0.000 0.245 154 P C 0.122 177.308 177.300 -0.190 0.000 1.212 154 P CA 0.873 63.870 63.100 -0.171 0.000 0.774 154 P CB -0.399 31.151 31.700 -0.248 0.000 0.999 155 H N -1.688 117.447 119.070 0.108 0.000 2.551 155 H HA 0.248 4.804 4.556 0.000 0.000 0.271 155 H C 0.794 176.175 175.328 0.088 0.000 0.984 155 H CA -0.480 55.618 56.048 0.084 0.000 1.164 155 H CB 0.039 29.840 29.762 0.064 0.000 1.437 155 H HN -0.100 nan 8.280 nan 0.000 0.550 156 R N 2.394 123.000 120.500 0.178 0.000 2.347 156 R HA 0.164 4.504 4.340 0.000 0.000 0.304 156 R C -0.372 175.981 176.300 0.089 0.000 1.072 156 R CA 0.030 56.220 56.100 0.150 0.000 0.980 156 R CB 0.268 30.701 30.300 0.222 0.000 0.986 156 R HN 0.300 nan 8.270 nan 0.000 0.448 157 T N 1.549 116.113 114.554 0.016 0.000 2.909 157 T HA 0.443 4.793 4.350 0.000 0.000 0.299 157 T C -1.027 173.535 174.700 -0.229 0.000 1.073 157 T CA -1.024 61.038 62.100 -0.064 0.000 0.999 157 T CB 1.276 70.175 68.868 0.052 0.000 1.098 157 T HN 0.351 nan 8.240 nan 0.000 0.477 158 L N 3.050 124.059 121.223 -0.356 0.000 2.281 158 L HA 0.722 5.062 4.340 0.000 0.000 0.285 158 L C -0.651 175.805 176.870 -0.689 0.000 1.074 158 L CA -0.152 54.428 54.840 -0.433 0.000 0.817 158 L CB 0.182 42.061 42.059 -0.300 0.000 1.168 158 L HN 0.830 nan 8.230 nan 0.000 0.434 159 M N 3.377 122.416 119.600 -0.935 0.000 2.667 159 M HA 0.640 5.120 4.480 0.000 0.000 0.286 159 M C -0.666 174.755 176.300 -1.466 0.000 1.270 159 M CA -0.683 53.960 55.300 -1.094 0.000 0.826 159 M CB 2.619 34.642 32.600 -0.961 0.000 1.743 159 M HN 0.701 nan 8.290 nan 0.000 0.460 160 S N 0.204 115.264 115.700 -1.068 0.000 2.556 160 S HA 0.896 5.366 4.470 0.000 0.000 0.271 160 S C -0.978 173.337 174.600 -0.474 0.000 1.135 160 S CA -0.798 56.792 58.200 -1.016 0.000 0.858 160 S CB 1.762 63.953 63.200 -1.682 0.000 1.114 160 S HN 1.117 nan 8.310 nan 0.000 0.468 161 C N -0.885 118.234 119.300 -0.302 0.000 3.318 161 C HA 0.862 5.322 4.460 0.000 0.000 0.322 161 C C -3.050 171.821 174.990 -0.198 0.000 1.398 161 C CA -1.910 57.015 59.018 -0.155 0.000 1.339 161 C CB 1.087 28.832 27.740 0.008 0.000 1.668 161 C HN 0.772 nan 8.230 nan 0.000 0.462 162 P HA 0.175 nan 4.420 nan 0.000 0.268 162 P C 0.079 177.301 177.300 -0.130 0.000 1.205 162 P CA 0.595 63.618 63.100 -0.128 0.000 0.771 162 P CB 0.522 32.168 31.700 -0.090 0.000 0.858 163 V N 2.862 122.698 119.914 -0.131 0.000 2.814 163 V HA 0.132 4.252 4.120 0.000 0.000 0.307 163 V C 1.940 177.940 176.094 -0.155 0.000 1.089 163 V CA 2.077 64.290 62.300 -0.145 0.000 1.212 163 V CB -0.560 31.189 31.823 -0.124 0.000 0.912 163 V HN 1.087 nan 8.190 nan 0.000 0.497 164 G N 3.371 112.078 108.800 -0.155 0.000 2.225 164 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 164 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 164 G C 0.080 174.911 174.900 -0.115 0.000 0.988 164 G CA 0.305 45.317 45.100 -0.147 0.000 0.625 164 G HN 0.688 nan 8.290 nan 0.000 0.527 165 E N 0.595 120.727 120.200 -0.113 0.000 2.242 165 E HA 0.618 4.968 4.350 0.000 0.000 0.275 165 E C 0.545 177.077 176.600 -0.114 0.000 1.002 165 E CA -0.176 56.166 56.400 -0.097 0.000 0.841 165 E CB 1.394 31.044 29.700 -0.083 0.000 1.109 165 E HN 0.608 nan 8.360 nan 0.000 0.394 166 A N 4.441 127.198 122.820 -0.106 0.000 2.492 166 A HA 0.196 4.517 4.320 0.000 0.000 0.254 166 A C -2.086 175.400 177.584 -0.164 0.000 1.091 166 A CA -1.173 50.783 52.037 -0.135 0.000 0.768 166 A CB -0.266 18.667 19.000 -0.111 0.000 1.028 166 A HN 0.325 nan 8.150 nan 0.000 0.498 167 P HA 0.083 nan 4.420 nan 0.000 0.269 167 P C 0.157 177.387 177.300 -0.117 0.000 1.252 167 P CA 0.444 63.384 63.100 -0.268 0.000 0.780 167 P CB 1.107 32.231 31.700 -0.959 0.000 0.829 168 S N 3.395 119.048 115.700 -0.077 0.000 4.107 168 S HA 0.162 4.632 4.470 0.000 0.000 0.196 168 S C 1.085 175.486 174.600 -0.332 0.000 1.125 168 S CA -0.214 57.751 58.200 -0.393 0.000 1.614 168 S CB -0.573 62.362 63.200 -0.443 0.000 1.234 168 S HN 0.382 nan 8.310 nan 0.000 0.799 169 Y N 2.964 123.228 120.300 -0.059 0.000 4.758 169 Y HA -0.306 4.244 4.550 0.000 0.000 0.235 169 Y C 1.415 177.305 175.900 -0.016 0.000 0.956 169 Y CA 1.187 59.264 58.100 -0.038 0.000 2.043 169 Y CB -1.496 36.925 38.460 -0.064 0.000 1.508 169 Y HN 0.805 nan 8.280 nan 0.000 0.525 170 N N -1.437 117.326 118.700 0.105 0.000 2.118 170 N HA 0.076 4.816 4.740 0.000 0.000 0.226 170 N C -0.676 174.867 175.510 0.055 0.000 1.305 170 N CA 0.215 53.301 53.050 0.061 0.000 0.890 170 N CB 0.347 38.849 38.487 0.024 0.000 1.118 170 N HN 0.019 nan 8.380 nan 0.000 0.511 171 S N 1.010 116.781 115.700 0.119 0.000 2.462 171 S HA 0.342 4.812 4.470 0.000 0.000 0.294 171 S C -0.276 174.357 174.600 0.054 0.000 1.144 171 S CA -0.775 57.504 58.200 0.131 0.000 1.088 171 S CB 2.176 65.606 63.200 0.383 0.000 1.009 171 S HN 0.277 nan 8.310 nan 0.000 0.484 172 R N 2.306 122.757 120.500 -0.082 0.000 2.349 172 R HA 0.315 4.655 4.340 0.000 0.000 0.299 172 R C -0.894 175.330 176.300 -0.127 0.000 1.027 172 R CA -0.480 55.566 56.100 -0.089 0.000 0.958 172 R CB 0.454 30.651 30.300 -0.172 0.000 1.047 172 R HN 0.577 nan 8.270 nan 0.000 0.468 173 F N 3.617 123.482 119.950 -0.140 0.000 2.443 173 F HA 0.133 4.660 4.527 0.000 0.000 0.353 173 F C 0.569 176.272 175.800 -0.162 0.000 1.101 173 F CA 0.232 58.139 58.000 -0.155 0.000 1.226 173 F CB 1.052 39.999 39.000 -0.089 0.000 1.140 173 F HN 0.662 nan 8.300 nan 0.000 0.557 174 E N 2.330 121.811 120.200 -1.198 0.000 2.378 174 E HA 0.162 4.512 4.350 0.000 0.000 0.200 174 E C -0.154 175.910 176.600 -0.894 0.000 0.882 174 E CA 0.321 56.266 56.400 -0.759 0.000 1.061 174 E CB 0.697 30.114 29.700 -0.470 0.000 1.049 174 E HN 0.495 nan 8.360 nan 0.000 0.494 175 S N -0.615 114.329 115.700 -1.259 0.000 2.627 175 S HA 0.319 4.789 4.470 0.000 0.000 0.268 175 S C -1.722 172.693 174.600 -0.309 0.000 1.130 175 S CA -0.630 57.228 58.200 -0.571 0.000 0.819 175 S CB 1.335 64.380 63.200 -0.258 0.000 1.100 175 S HN -0.108 nan 8.310 nan 0.000 0.465 176 V N 2.195 122.123 119.914 0.023 0.000 2.348 176 V HA 0.832 4.952 4.120 0.000 0.000 0.270 176 V C 0.356 176.392 176.094 -0.096 0.000 1.037 176 V CA 0.415 62.748 62.300 0.054 0.000 0.872 176 V CB -0.082 31.803 31.823 0.103 0.000 1.002 176 V HN 1.090 nan 8.190 nan 0.000 0.464 177 A N 5.099 127.846 122.820 -0.122 0.000 2.594 177 A HA 0.645 4.965 4.320 0.000 0.000 0.296 177 A C -0.454 177.067 177.584 -0.104 0.000 1.056 177 A CA -0.729 51.153 52.037 -0.259 0.000 0.693 177 A CB 1.178 20.017 19.000 -0.270 0.000 1.278 177 A HN 0.921 nan 8.150 nan 0.000 0.408 178 W N 0.967 122.270 121.300 0.005 0.000 2.991 178 W HA 0.561 5.221 4.660 0.000 0.000 0.391 178 W C 0.019 176.562 176.519 0.041 0.000 1.054 178 W CA 0.260 57.617 57.345 0.021 0.000 1.856 178 W CB 0.182 29.651 29.460 0.015 0.000 1.132 178 W HN 0.886 nan 8.180 nan 0.000 0.601 179 S N 0.666 116.404 115.700 0.063 0.000 2.563 179 S HA 0.662 5.132 4.470 0.000 0.000 0.279 179 S C -1.013 173.552 174.600 -0.057 0.000 1.155 179 S CA 0.128 58.380 58.200 0.086 0.000 0.928 179 S CB 1.050 64.320 63.200 0.118 0.000 1.107 179 S HN 0.393 nan 8.310 nan 0.000 0.462 180 A N 2.263 125.095 122.820 0.020 0.000 2.515 180 A HA 1.001 5.321 4.320 0.000 0.000 0.299 180 A C -0.817 176.734 177.584 -0.056 0.000 1.179 180 A CA -0.152 51.874 52.037 -0.018 0.000 0.656 180 A CB 1.029 20.040 19.000 0.018 0.000 1.306 180 A HN 2.094 nan 8.150 nan 0.000 0.459 181 S N -1.577 114.076 115.700 -0.079 0.000 2.586 181 S HA 0.889 5.359 4.470 0.000 0.000 0.277 181 S C -0.751 173.785 174.600 -0.107 0.000 1.131 181 S CA 0.007 58.070 58.200 -0.229 0.000 0.848 181 S CB 0.852 63.944 63.200 -0.180 0.000 1.091 181 S HN 2.617 nan 8.310 nan 0.000 0.453 182 A N 0.166 122.905 122.820 -0.134 0.000 2.606 182 A HA 0.955 5.275 4.320 0.000 0.000 0.293 182 A C -0.585 177.024 177.584 0.041 0.000 1.082 182 A CA -0.373 51.576 52.037 -0.147 0.000 0.685 182 A CB 0.789 19.348 19.000 -0.735 0.000 1.284 182 A HN 2.532 nan 8.150 nan 0.000 0.408 183 c N -0.479 118.261 118.600 0.234 0.000 3.283 183 c HA 0.770 5.340 4.570 0.000 0.000 0.359 183 c C -0.825 173.432 174.090 0.279 0.000 1.160 183 c CA -0.768 55.758 56.329 0.328 0.000 1.232 183 c CB 0.304 42.940 42.510 0.210 0.000 1.571 183 c HN 1.270 nan 8.230 nan 0.000 0.522 184 H N 0.863 119.877 119.070 -0.093 0.000 2.458 184 H HA 0.560 5.116 4.556 0.000 0.000 0.330 184 H C 0.539 175.753 175.328 -0.190 0.000 1.111 184 H CA 0.176 55.948 56.048 -0.460 0.000 1.245 184 H CB 1.436 30.466 29.762 -1.221 0.000 1.456 184 H HN 0.831 nan 8.280 nan 0.000 0.488 185 D N 2.457 122.695 120.400 -0.270 0.000 2.342 185 D HA 0.151 4.791 4.640 0.000 0.000 0.221 185 D C 1.435 177.710 176.300 -0.043 0.000 1.101 185 D CA 0.465 54.425 54.000 -0.068 0.000 0.837 185 D CB 0.314 41.107 40.800 -0.012 0.000 0.938 185 D HN 0.855 nan 8.370 nan 0.000 0.508 186 G N -1.006 107.838 108.800 0.073 0.000 2.232 186 G HA2 -0.308 3.652 3.960 0.000 0.000 0.226 186 G HA3 -0.308 3.652 3.960 0.000 0.000 0.226 186 G C 1.103 175.859 174.900 -0.241 0.000 0.996 186 G CA 0.510 45.585 45.100 -0.041 0.000 0.626 186 G HN 0.402 nan 8.290 nan 0.000 0.509 187 T N -0.508 113.894 114.554 -0.252 0.000 3.182 187 T HA 0.515 4.865 4.350 0.000 0.000 0.244 187 T C 0.865 175.353 174.700 -0.354 0.000 0.981 187 T CA 1.380 63.352 62.100 -0.214 0.000 1.182 187 T CB 0.435 69.247 68.868 -0.094 0.000 1.043 187 T HN 0.438 nan 8.240 nan 0.000 0.424 188 S N -0.756 114.466 115.700 -0.796 0.000 2.661 188 S HA 0.558 5.028 4.470 0.000 0.000 0.285 188 S C -1.922 171.985 174.600 -1.155 0.000 1.138 188 S CA -0.946 56.704 58.200 -0.915 0.000 0.855 188 S CB 1.404 63.948 63.200 -1.093 0.000 1.136 188 S HN 0.382 nan 8.310 nan 0.000 0.484 189 W N 1.778 122.783 121.300 -0.492 0.000 2.316 189 W HA 0.572 5.232 4.660 0.000 0.000 0.311 189 W C -0.414 176.003 176.519 -0.170 0.000 1.217 189 W CA -0.325 56.921 57.345 -0.166 0.000 1.199 189 W CB 0.744 30.265 29.460 0.103 0.000 1.202 189 W HN 0.355 nan 8.180 nan 0.000 0.528 190 L N 4.903 126.278 121.223 0.253 0.000 2.296 190 L HA 0.682 5.022 4.340 0.000 0.000 0.286 190 L C -0.017 176.954 176.870 0.169 0.000 1.023 190 L CA -0.215 54.757 54.840 0.219 0.000 0.812 190 L CB 1.091 43.275 42.059 0.207 0.000 1.223 190 L HN 0.375 nan 8.230 nan 0.000 0.421 191 T N 3.117 117.730 114.554 0.099 0.000 2.841 191 T HA 0.728 5.078 4.350 0.000 0.000 0.283 191 T C -0.331 174.355 174.700 -0.023 0.000 1.000 191 T CA -0.507 61.600 62.100 0.013 0.000 0.977 191 T CB 1.080 69.944 68.868 -0.006 0.000 0.979 191 T HN 0.512 nan 8.240 nan 0.000 0.446 192 I N 2.340 122.874 120.570 -0.059 0.000 2.411 192 I HA 0.573 4.743 4.170 0.000 0.000 0.284 192 I C 0.486 176.531 176.117 -0.120 0.000 1.012 192 I CA -0.875 60.369 61.300 -0.092 0.000 1.119 192 I CB 1.682 39.620 38.000 -0.103 0.000 1.261 192 I HN 0.961 nan 8.210 nan 0.000 0.448 193 G N 7.337 116.050 108.800 -0.146 0.000 2.478 193 G HA2 0.732 4.692 3.960 0.000 0.000 0.317 193 G HA3 0.732 4.692 3.960 0.000 0.000 0.317 193 G C -0.732 174.001 174.900 -0.277 0.000 1.259 193 G CA -0.433 44.549 45.100 -0.196 0.000 0.933 193 G HN 0.474 nan 8.290 nan 0.000 0.478 194 I N 1.908 122.221 120.570 -0.429 0.000 2.336 194 I HA 0.480 4.650 4.170 0.000 0.000 0.292 194 I C 0.312 175.778 176.117 -1.085 0.000 0.991 194 I CA -0.307 60.600 61.300 -0.654 0.000 1.227 194 I CB 1.784 39.342 38.000 -0.736 0.000 1.366 194 I HN 0.453 nan 8.210 nan 0.000 0.466 195 S N 3.359 118.627 115.700 -0.720 0.000 2.806 195 S HA 0.968 5.439 4.470 0.000 0.000 0.306 195 S C -0.344 174.247 174.600 -0.014 0.000 1.167 195 S CA 0.197 58.080 58.200 -0.528 0.000 0.847 195 S CB 1.889 64.962 63.200 -0.211 0.000 1.216 195 S HN 1.128 nan 8.310 nan 0.000 0.532 196 G N 1.393 110.368 108.800 0.292 0.000 2.498 196 G HA2 0.010 3.970 3.960 0.000 0.000 0.651 196 G HA3 0.010 3.970 3.960 0.000 0.000 0.651 196 G C -3.253 171.845 174.900 0.331 0.000 1.284 196 G CA -0.442 44.808 45.100 0.250 0.000 0.950 196 G HN 0.659 nan 8.290 nan 0.000 0.511 197 P HA 0.308 nan 4.420 nan 0.000 0.274 197 P C -0.108 177.245 177.300 0.088 0.000 1.260 197 P CA -0.020 63.130 63.100 0.083 0.000 0.793 197 P CB 0.700 32.424 31.700 0.041 0.000 1.048 198 D N -0.146 120.240 120.400 -0.023 0.000 2.224 198 D HA -0.102 4.538 4.640 0.000 0.000 0.205 198 D C 1.213 177.506 176.300 -0.011 0.000 0.965 198 D CA 1.198 55.168 54.000 -0.050 0.000 0.852 198 D CB -0.556 40.169 40.800 -0.125 0.000 0.947 198 D HN 0.495 nan 8.370 nan 0.000 0.494 199 N N -0.307 118.389 118.700 -0.007 0.000 2.314 199 N HA 0.132 4.872 4.740 0.000 0.000 0.200 199 N C 0.772 176.283 175.510 0.003 0.000 1.135 199 N CA 0.141 53.184 53.050 -0.013 0.000 0.835 199 N CB 0.508 38.986 38.487 -0.016 0.000 0.989 199 N HN 0.040 nan 8.380 nan 0.000 0.478 200 G N -1.560 107.258 108.800 0.030 0.000 5.413 200 G HA2 0.416 4.376 3.960 0.000 0.000 0.206 200 G HA3 0.416 4.376 3.960 0.000 0.000 0.206 200 G C -0.108 174.830 174.900 0.063 0.000 0.794 200 G CA -0.121 45.000 45.100 0.035 0.000 0.751 200 G HN 0.500 nan 8.290 nan 0.000 0.334 201 A N -0.318 122.568 122.820 0.110 0.000 2.521 201 A HA 0.615 4.935 4.320 0.000 0.000 0.237 201 A C 0.199 177.800 177.584 0.028 0.000 1.087 201 A CA 0.426 52.547 52.037 0.139 0.000 0.777 201 A CB 1.200 20.375 19.000 0.292 0.000 1.035 201 A HN 1.411 nan 8.150 nan 0.000 0.510 202 V N 0.424 120.316 119.914 -0.036 0.000 2.686 202 V HA 0.644 4.764 4.120 0.000 0.000 0.306 202 V C 0.051 176.063 176.094 -0.137 0.000 1.065 202 V CA 0.020 62.285 62.300 -0.058 0.000 0.894 202 V CB 1.637 33.443 31.823 -0.028 0.000 1.004 202 V HN 1.603 nan 8.190 nan 0.000 0.424 203 A N 6.119 128.859 122.820 -0.133 0.000 2.276 203 A HA 0.740 5.060 4.320 0.000 0.000 0.300 203 A C -0.569 176.936 177.584 -0.132 0.000 1.235 203 A CA -0.367 51.565 52.037 -0.175 0.000 0.867 203 A CB 1.007 19.891 19.000 -0.194 0.000 1.137 203 A HN 0.994 nan 8.150 nan 0.000 0.527 204 V N 4.734 124.573 119.914 -0.125 0.000 2.383 204 V HA 0.274 4.394 4.120 0.000 0.000 0.275 204 V C 0.002 176.051 176.094 -0.074 0.000 1.036 204 V CA -0.220 62.032 62.300 -0.080 0.000 0.889 204 V CB 1.018 32.806 31.823 -0.058 0.000 0.985 204 V HN 0.730 nan 8.190 nan 0.000 0.459 205 L N 5.692 126.881 121.223 -0.055 0.000 2.289 205 L HA 0.608 4.948 4.340 0.000 0.000 0.285 205 L C -0.017 176.859 176.870 0.011 0.000 1.049 205 L CA -0.528 54.290 54.840 -0.036 0.000 0.804 205 L CB 1.259 43.288 42.059 -0.049 0.000 1.195 205 L HN 0.556 nan 8.230 nan 0.000 0.428 206 K N 2.751 123.177 120.400 0.043 0.000 2.375 206 K HA 0.491 4.811 4.320 0.000 0.000 0.249 206 K C -1.680 175.024 176.600 0.174 0.000 0.942 206 K CA -0.770 55.570 56.287 0.088 0.000 0.806 206 K CB 2.887 35.423 32.500 0.060 0.000 1.227 206 K HN 0.380 nan 8.250 nan 0.000 0.430 207 Y N 2.680 122.996 120.300 0.026 0.000 2.329 207 Y HA 0.142 4.692 4.550 0.000 0.000 0.328 207 Y C 0.012 175.942 175.900 0.051 0.000 0.992 207 Y CA -0.517 57.599 58.100 0.028 0.000 1.151 207 Y CB 1.035 39.489 38.460 -0.009 0.000 1.150 207 Y HN 0.798 nan 8.280 nan 0.000 0.450 208 N N 4.258 122.851 118.700 -0.178 0.000 2.735 208 N HA -0.206 4.535 4.740 0.000 0.000 0.248 208 N C 0.705 176.237 175.510 0.036 0.000 1.083 208 N CA 1.800 54.802 53.050 -0.080 0.000 0.703 208 N CB -1.160 37.243 38.487 -0.140 0.000 1.005 208 N HN 1.541 nan 8.380 nan 0.000 0.550 209 G N -0.671 108.168 108.800 0.065 0.000 2.184 209 G HA2 -0.297 3.663 3.960 0.000 0.000 0.264 209 G HA3 -0.297 3.663 3.960 0.000 0.000 0.264 209 G C 0.269 175.216 174.900 0.078 0.000 0.975 209 G CA 0.686 45.830 45.100 0.074 0.000 0.642 209 G HN 1.125 nan 8.290 nan 0.000 0.536 210 I N -1.364 119.257 120.570 0.085 0.000 2.433 210 I HA 0.707 4.877 4.170 0.000 0.000 0.292 210 I C 0.518 176.682 176.117 0.079 0.000 1.001 210 I CA -1.758 59.589 61.300 0.078 0.000 1.119 210 I CB 1.360 39.405 38.000 0.074 0.000 1.289 210 I HN -0.003 nan 8.210 nan 0.000 0.438 211 I N 5.770 126.374 120.570 0.057 0.000 2.742 211 I HA -0.038 4.132 4.170 0.000 0.000 0.287 211 I C 1.236 177.374 176.117 0.035 0.000 1.186 211 I CA 0.509 61.833 61.300 0.040 0.000 1.417 211 I CB 0.725 38.740 38.000 0.025 0.000 1.377 211 I HN 0.850 nan 8.210 nan 0.000 0.556 212 T N -0.278 114.293 114.554 0.029 0.000 3.003 212 T HA 0.256 4.606 4.350 0.000 0.000 0.261 212 T C 0.141 174.830 174.700 -0.020 0.000 1.003 212 T CA -0.284 61.819 62.100 0.005 0.000 0.917 212 T CB 0.453 69.320 68.868 -0.002 0.000 1.084 212 T HN 0.606 nan 8.240 nan 0.000 0.522 213 D N -0.704 119.685 120.400 -0.019 0.000 2.807 213 D HA 0.403 5.043 4.640 0.000 0.000 0.279 213 D C -1.731 174.548 176.300 -0.034 0.000 1.247 213 D CA -0.130 53.852 54.000 -0.029 0.000 0.749 213 D CB 1.861 42.635 40.800 -0.043 0.000 1.264 213 D HN -0.008 nan 8.370 nan 0.000 0.421 214 T N 1.056 115.590 114.554 -0.032 0.000 2.952 214 T HA 0.613 4.963 4.350 0.000 0.000 0.305 214 T C -0.708 173.975 174.700 -0.028 0.000 1.064 214 T CA -0.401 61.678 62.100 -0.035 0.000 1.008 214 T CB 0.880 69.737 68.868 -0.018 0.000 1.078 214 T HN 0.219 nan 8.240 nan 0.000 0.459 215 I N 3.185 123.728 120.570 -0.046 0.000 2.439 215 I HA 0.399 4.570 4.170 0.000 0.000 0.283 215 I C 0.031 176.174 176.117 0.043 0.000 1.023 215 I CA -0.872 60.425 61.300 -0.005 0.000 1.100 215 I CB 1.792 39.718 38.000 -0.123 0.000 1.238 215 I HN 0.297 nan 8.210 nan 0.000 0.445 216 K N 3.105 123.565 120.400 0.100 0.000 2.126 216 K HA 0.291 4.611 4.320 0.000 0.000 0.257 216 K C 0.310 177.016 176.600 0.177 0.000 1.007 216 K CA -0.298 56.051 56.287 0.103 0.000 0.928 216 K CB 1.202 33.758 32.500 0.094 0.000 1.013 216 K HN 0.546 nan 8.250 nan 0.000 0.473 217 S N 1.548 117.296 115.700 0.080 0.000 2.533 217 S HA 0.011 4.481 4.470 0.000 0.000 0.282 217 S C 0.367 175.003 174.600 0.061 0.000 1.304 217 S CA -0.340 57.842 58.200 -0.031 0.000 1.063 217 S CB 0.163 63.311 63.200 -0.087 0.000 0.881 217 S HN 0.691 nan 8.310 nan 0.000 0.493 218 W N 5.177 126.496 121.300 0.033 0.000 3.220 218 W HA 0.525 5.185 4.660 0.000 0.000 0.328 218 W C 1.188 177.708 176.519 0.000 0.000 1.205 218 W CA -0.590 56.766 57.345 0.017 0.000 1.773 218 W CB 0.190 29.661 29.460 0.018 0.000 1.086 218 W HN 0.477 nan 8.180 nan 0.000 0.622 219 R N 0.835 121.114 120.500 -0.368 0.000 2.469 219 R HA 0.075 4.415 4.340 0.000 0.000 0.250 219 R C 0.085 176.286 176.300 -0.165 0.000 0.909 219 R CA 0.191 56.143 56.100 -0.247 0.000 1.050 219 R CB -0.785 29.290 30.300 -0.376 0.000 1.256 219 R HN 0.123 nan 8.270 nan 0.000 0.550 220 N N 1.864 120.468 118.700 -0.161 0.000 2.756 220 N HA -0.208 4.532 4.740 0.000 0.000 0.248 220 N C -0.688 174.764 175.510 -0.096 0.000 1.062 220 N CA 0.831 53.826 53.050 -0.092 0.000 0.696 220 N CB -1.448 37.011 38.487 -0.046 0.000 0.946 220 N HN 0.239 nan 8.380 nan 0.000 0.548 221 N N 0.759 119.379 118.700 -0.133 0.000 2.751 221 N HA 0.260 5.000 4.740 0.000 0.000 0.234 221 N C -0.397 175.057 175.510 -0.094 0.000 1.403 221 N CA -0.380 52.606 53.050 -0.106 0.000 0.747 221 N CB -0.159 38.259 38.487 -0.115 0.000 1.326 221 N HN 0.292 nan 8.380 nan 0.000 0.532 222 I N 0.656 121.200 120.570 -0.043 0.000 7.474 222 I HA -0.321 3.849 4.170 0.000 0.000 0.126 222 I C -0.193 175.972 176.117 0.080 0.000 1.805 222 I CA 0.028 61.347 61.300 0.032 0.000 2.128 222 I CB -0.819 37.162 38.000 -0.032 0.000 3.592 222 I HN 0.348 nan 8.210 nan 0.000 0.196 223 L N 6.675 127.943 121.223 0.076 0.000 2.525 223 L HA 0.333 4.673 4.340 0.000 0.000 0.278 223 L C 0.831 177.778 176.870 0.128 0.000 1.218 223 L CA 0.807 55.627 54.840 -0.033 0.000 0.878 223 L CB 0.314 42.322 42.059 -0.085 0.000 1.127 223 L HN 0.555 nan 8.230 nan 0.000 0.492 224 R N 2.304 122.855 120.500 0.085 0.000 2.764 224 R HA 0.755 5.095 4.340 0.000 0.000 0.270 224 R C -0.924 175.438 176.300 0.104 0.000 1.014 224 R CA -0.852 55.334 56.100 0.145 0.000 0.904 224 R CB 1.449 31.882 30.300 0.221 0.000 1.236 224 R HN 0.555 nan 8.270 nan 0.000 0.466 225 T N -1.356 113.253 114.554 0.092 0.000 2.626 225 T HA 0.159 4.509 4.350 0.000 0.000 0.279 225 T C 0.643 175.394 174.700 0.084 0.000 0.983 225 T CA -0.469 61.678 62.100 0.078 0.000 1.059 225 T CB 1.610 70.484 68.868 0.011 0.000 1.396 225 T HN 0.670 nan 8.240 nan 0.000 0.519 226 Q N 0.198 120.030 119.800 0.052 0.000 2.096 226 Q HA -0.151 4.190 4.340 0.000 0.000 0.208 226 Q C -0.112 175.908 176.000 0.034 0.000 0.993 226 Q CA 1.810 57.636 55.803 0.038 0.000 0.862 226 Q CB -0.063 28.670 28.738 -0.008 0.000 0.915 226 Q HN 0.590 nan 8.270 nan 0.000 0.416 227 E N -0.626 119.557 120.200 -0.028 0.000 2.868 227 E HA -0.147 4.203 4.350 0.000 0.000 0.278 227 E C -0.650 175.854 176.600 -0.159 0.000 1.009 227 E CA 1.206 57.637 56.400 0.052 0.000 0.856 227 E CB -2.048 27.832 29.700 0.301 0.000 1.428 227 E HN 0.493 nan 8.360 nan 0.000 0.423 228 S N -2.051 113.262 115.700 -0.644 0.000 2.636 228 S HA 0.386 4.856 4.470 0.000 0.000 0.266 228 S C -0.448 173.653 174.600 -0.833 0.000 1.147 228 S CA -0.736 56.960 58.200 -0.839 0.000 0.815 228 S CB 2.101 65.397 63.200 0.159 0.000 1.119 228 S HN 0.158 nan 8.310 nan 0.000 0.470 229 E N 0.426 120.438 120.200 -0.314 0.000 2.529 229 E HA 0.204 4.554 4.350 0.000 0.000 0.259 229 E C 0.422 177.071 176.600 0.083 0.000 0.966 229 E CA -0.271 56.153 56.400 0.040 0.000 0.937 229 E CB -0.043 29.874 29.700 0.362 0.000 0.923 229 E HN 0.727 nan 8.360 nan 0.000 0.468 230 c N 2.745 121.400 118.600 0.091 0.000 2.517 230 c HA 0.875 5.445 4.570 0.000 0.000 0.357 230 c C 0.414 174.634 174.090 0.216 0.000 1.485 230 c CA -0.603 55.815 56.329 0.147 0.000 2.148 230 c CB 0.120 42.706 42.510 0.127 0.000 2.019 230 c HN 0.778 nan 8.230 nan 0.000 0.576 231 A N -0.833 122.141 122.820 0.256 0.000 2.371 231 A HA 0.721 5.041 4.320 0.000 0.000 0.311 231 A C -0.782 177.003 177.584 0.336 0.000 1.068 231 A CA -0.311 51.887 52.037 0.268 0.000 0.744 231 A CB 0.557 19.682 19.000 0.209 0.000 1.239 231 A HN 1.053 nan 8.150 nan 0.000 0.435 232 c N 1.317 120.077 118.600 0.267 0.000 2.507 232 c HA 0.842 5.412 4.570 0.000 0.000 0.319 232 c C -0.230 174.007 174.090 0.245 0.000 1.208 232 c CA -0.580 55.901 56.329 0.254 0.000 1.619 232 c CB 0.872 43.468 42.510 0.142 0.000 2.230 232 c HN 0.675 nan 8.230 nan 0.000 0.492 233 V N 2.535 122.631 119.914 0.304 0.000 2.777 233 V HA 0.488 4.608 4.120 0.000 0.000 0.306 233 V C 0.029 176.237 176.094 0.190 0.000 1.112 233 V CA -0.474 61.958 62.300 0.220 0.000 0.917 233 V CB 1.791 33.733 31.823 0.198 0.000 1.018 233 V HN 0.962 nan 8.190 nan 0.000 0.426 234 N N 2.995 121.761 118.700 0.110 0.000 2.721 234 N HA -0.192 4.549 4.740 0.000 0.000 0.249 234 N C 0.992 176.538 175.510 0.059 0.000 1.072 234 N CA 1.959 55.056 53.050 0.078 0.000 0.710 234 N CB -0.944 37.595 38.487 0.087 0.000 0.993 234 N HN 2.011 nan 8.380 nan 0.000 0.547 235 G N -2.500 106.328 108.800 0.046 0.000 2.148 235 G HA2 -0.244 3.716 3.960 0.000 0.000 0.254 235 G HA3 -0.244 3.716 3.960 0.000 0.000 0.254 235 G C -0.128 174.754 174.900 -0.030 0.000 0.981 235 G CA 0.484 45.588 45.100 0.008 0.000 0.670 235 G HN 0.779 nan 8.290 nan 0.000 0.528 236 S N -0.885 114.802 115.700 -0.023 0.000 2.532 236 S HA 0.656 5.126 4.470 0.000 0.000 0.299 236 S C 0.017 174.450 174.600 -0.279 0.000 1.105 236 S CA -0.421 57.658 58.200 -0.203 0.000 1.018 236 S CB 2.185 65.236 63.200 -0.249 0.000 1.021 236 S HN 0.560 nan 8.310 nan 0.000 0.483 237 c N 3.024 121.401 118.600 -0.373 0.000 2.391 237 c HA 0.794 5.364 4.570 0.000 0.000 0.339 237 c C -0.694 173.148 174.090 -0.414 0.000 1.205 237 c CA -0.751 55.464 56.329 -0.189 0.000 1.937 237 c CB -0.341 42.157 42.510 -0.019 0.000 2.341 237 c HN 0.798 nan 8.230 nan 0.000 0.516 238 F N 0.623 120.669 119.950 0.161 0.000 2.563 238 F HA 0.740 5.268 4.527 0.000 0.000 0.316 238 F C 0.425 176.353 175.800 0.213 0.000 1.076 238 F CA -0.478 57.654 58.000 0.221 0.000 0.921 238 F CB 1.890 41.130 39.000 0.400 0.000 1.209 238 F HN 0.529 nan 8.300 nan 0.000 0.462 239 T N 0.706 115.488 114.554 0.380 0.000 2.787 239 T HA 0.770 5.120 4.350 0.000 0.000 0.297 239 T C -2.013 172.861 174.700 0.290 0.000 1.221 239 T CA -0.520 61.746 62.100 0.277 0.000 1.006 239 T CB 1.614 70.570 68.868 0.147 0.000 1.328 239 T HN 0.378 nan 8.240 nan 0.000 0.509 240 V N 3.202 123.256 119.914 0.233 0.000 2.588 240 V HA 0.642 4.762 4.120 0.000 0.000 0.304 240 V C -0.394 175.848 176.094 0.246 0.000 1.042 240 V CA -0.689 61.745 62.300 0.224 0.000 0.877 240 V CB 1.654 33.566 31.823 0.147 0.000 0.996 240 V HN 0.837 nan 8.190 nan 0.000 0.425 241 M N 2.758 122.579 119.600 0.368 0.000 2.602 241 M HA 0.631 5.111 4.480 0.000 0.000 0.312 241 M C -0.678 175.884 176.300 0.436 0.000 1.181 241 M CA -0.442 55.081 55.300 0.372 0.000 0.910 241 M CB 2.678 35.541 32.600 0.438 0.000 1.723 241 M HN 0.534 nan 8.290 nan 0.000 0.459 242 T N 0.424 115.147 114.554 0.282 0.000 2.876 242 T HA 0.502 4.853 4.350 0.000 0.000 0.289 242 T C -1.526 173.131 174.700 -0.071 0.000 1.014 242 T CA -0.574 61.656 62.100 0.216 0.000 0.986 242 T CB 1.823 70.834 68.868 0.239 0.000 1.021 242 T HN 0.541 nan 8.240 nan 0.000 0.458 243 D N 0.383 120.618 120.400 -0.276 0.000 2.896 243 D HA 0.669 5.310 4.640 0.000 0.000 0.241 243 D C -0.051 176.034 176.300 -0.359 0.000 1.188 243 D CA 0.370 54.046 54.000 -0.540 0.000 0.879 243 D CB 1.652 41.612 40.800 -1.398 0.000 1.553 243 D HN 0.972 nan 8.370 nan 0.000 0.515 244 G N 2.710 111.365 108.800 -0.242 0.000 2.347 244 G HA2 0.082 4.042 3.960 0.000 0.000 0.341 244 G HA3 0.082 4.042 3.960 0.000 0.000 0.341 244 G C -2.936 171.909 174.900 -0.092 0.000 1.287 244 G CA -0.882 44.115 45.100 -0.173 0.000 0.984 244 G HN 0.399 nan 8.290 nan 0.000 0.526 245 P HA 0.190 nan 4.420 nan 0.000 0.268 245 P C 0.892 178.219 177.300 0.044 0.000 1.208 245 P CA 0.698 63.763 63.100 -0.060 0.000 0.777 245 P CB 1.082 32.703 31.700 -0.131 0.000 0.875 246 S N 0.187 115.921 115.700 0.057 0.000 2.593 246 S HA 0.052 4.522 4.470 0.000 0.000 0.217 246 S C 0.879 175.470 174.600 -0.015 0.000 0.966 246 S CA -0.131 58.166 58.200 0.161 0.000 0.914 246 S CB -0.505 62.779 63.200 0.139 0.000 0.776 246 S HN 0.332 nan 8.310 nan 0.000 0.523 247 N N 2.111 120.711 118.700 -0.167 0.000 1.784 247 N HA 0.353 5.093 4.740 0.000 0.000 0.206 247 N C 1.162 176.094 175.510 -0.963 0.000 1.201 247 N CA 0.378 53.233 53.050 -0.325 0.000 1.029 247 N CB -1.192 37.177 38.487 -0.198 0.000 1.344 247 N HN 0.361 nan 8.380 nan 0.000 0.412 248 G N 0.810 108.969 108.800 -1.068 0.000 2.518 248 G HA2 -0.048 3.912 3.960 0.000 0.000 0.284 248 G HA3 -0.048 3.912 3.960 0.000 0.000 0.284 248 G C 0.049 173.996 174.900 -1.589 0.000 1.362 248 G CA -0.099 43.826 45.100 -1.959 0.000 1.065 248 G HN 0.210 nan 8.290 nan 0.000 0.561 249 Q N -0.656 118.310 119.800 -1.391 0.000 2.431 249 Q HA 0.249 4.589 4.340 0.000 0.000 0.349 249 Q C 0.434 176.283 176.000 -0.252 0.000 1.119 249 Q CA 0.934 56.431 55.803 -0.509 0.000 1.065 249 Q CB 0.453 29.087 28.738 -0.173 0.000 1.149 249 Q HN 0.741 nan 8.270 nan 0.000 0.403 250 A N 2.262 125.014 122.820 -0.114 0.000 2.524 250 A HA 0.672 4.992 4.320 0.000 0.000 0.286 250 A C -0.881 176.294 177.584 -0.682 0.000 1.203 250 A CA -0.358 51.519 52.037 -0.267 0.000 0.736 250 A CB 1.881 20.814 19.000 -0.113 0.000 1.322 250 A HN 0.553 nan 8.150 nan 0.000 0.424 251 S N -0.773 114.570 115.700 -0.595 0.000 2.475 251 S HA 0.722 5.192 4.470 0.000 0.000 0.298 251 S C -1.653 172.647 174.600 -0.500 0.000 1.119 251 S CA -0.286 57.633 58.200 -0.468 0.000 1.085 251 S CB 0.133 63.439 63.200 0.177 0.000 1.028 251 S HN 0.438 nan 8.310 nan 0.000 0.489 252 Y N 2.825 123.249 120.300 0.208 0.000 2.361 252 Y HA 0.547 5.097 4.550 0.000 0.000 0.337 252 Y C 0.260 176.136 175.900 -0.040 0.000 0.965 252 Y CA -0.972 57.200 58.100 0.121 0.000 1.091 252 Y CB 1.475 39.933 38.460 -0.003 0.000 1.182 252 Y HN 0.392 nan 8.280 nan 0.000 0.450 253 K N 3.865 124.325 120.400 0.100 0.000 2.318 253 K HA 0.665 4.985 4.320 0.000 0.000 0.249 253 K C -1.237 175.193 176.600 -0.284 0.000 0.942 253 K CA -0.831 55.274 56.287 -0.303 0.000 0.808 253 K CB 2.738 34.803 32.500 -0.724 0.000 1.189 253 K HN 0.608 nan 8.250 nan 0.000 0.428 254 I N 2.806 123.053 120.570 -0.538 0.000 2.404 254 I HA 0.351 4.521 4.170 0.000 0.000 0.293 254 I C -0.906 174.905 176.117 -0.510 0.000 0.992 254 I CA -0.711 60.316 61.300 -0.454 0.000 1.149 254 I CB 0.758 38.295 38.000 -0.771 0.000 1.315 254 I HN 0.346 nan 8.210 nan 0.000 0.446 255 F N 5.052 124.928 119.950 -0.124 0.000 2.480 255 F HA 0.496 5.023 4.527 0.000 0.000 0.329 255 F C 0.160 175.938 175.800 -0.037 0.000 1.091 255 F CA -0.786 57.162 58.000 -0.086 0.000 0.972 255 F CB 1.621 40.582 39.000 -0.066 0.000 1.150 255 F HN 0.255 nan 8.300 nan 0.000 0.467 256 K N 5.429 125.864 120.400 0.059 0.000 2.450 256 K HA 0.604 4.925 4.320 0.000 0.000 0.257 256 K C -1.296 175.180 176.600 -0.206 0.000 0.953 256 K CA -0.599 55.560 56.287 -0.213 0.000 0.844 256 K CB 0.933 33.384 32.500 -0.083 0.000 1.103 256 K HN 0.803 nan 8.250 nan 0.000 0.429 257 M N 1.858 121.277 119.600 -0.301 0.000 2.591 257 M HA 0.512 4.992 4.480 0.000 0.000 0.306 257 M C -1.284 174.869 176.300 -0.245 0.000 1.190 257 M CA -0.768 54.411 55.300 -0.202 0.000 0.889 257 M CB 2.092 34.616 32.600 -0.127 0.000 1.728 257 M HN 0.426 nan 8.290 nan 0.000 0.458 258 E N 1.280 121.350 120.200 -0.217 0.000 2.241 258 E HA 0.380 4.730 4.350 0.000 0.000 0.263 258 E C -1.249 175.139 176.600 -0.354 0.000 0.882 258 E CA -0.770 55.486 56.400 -0.241 0.000 0.769 258 E CB 1.921 31.512 29.700 -0.182 0.000 1.185 258 E HN 0.710 nan 8.360 nan 0.000 0.415 259 K N 1.462 121.501 120.400 -0.601 0.000 3.125 259 K HA -0.237 4.083 4.320 0.000 0.000 0.268 259 K C 0.588 176.674 176.600 -0.855 0.000 1.078 259 K CA 0.484 56.011 56.287 -1.267 0.000 0.775 259 K CB -1.582 30.468 32.500 -0.750 0.000 1.253 259 K HN 1.115 nan 8.250 nan 0.000 0.486 260 G N 0.542 109.065 108.800 -0.462 0.000 2.187 260 G HA2 -0.388 3.572 3.960 0.000 0.000 0.261 260 G HA3 -0.388 3.572 3.960 0.000 0.000 0.261 260 G C -0.069 174.757 174.900 -0.124 0.000 1.000 260 G CA 1.187 46.208 45.100 -0.132 0.000 0.718 260 G HN 0.456 nan 8.290 nan 0.000 0.519 261 K N 0.033 120.334 120.400 -0.164 0.000 2.270 261 K HA 0.599 4.919 4.320 0.000 0.000 0.255 261 K C 0.258 176.804 176.600 -0.090 0.000 0.936 261 K CA -0.903 55.318 56.287 -0.110 0.000 0.809 261 K CB 1.787 34.219 32.500 -0.112 0.000 1.131 261 K HN -0.012 nan 8.250 nan 0.000 0.427 262 V N 5.460 125.347 119.914 -0.046 0.000 2.446 262 V HA -0.020 4.100 4.120 0.000 0.000 0.276 262 V C 1.155 177.235 176.094 -0.023 0.000 1.030 262 V CA 0.039 62.339 62.300 -0.001 0.000 1.033 262 V CB 0.820 32.692 31.823 0.081 0.000 0.993 262 V HN 0.753 nan 8.190 nan 0.000 0.477 263 V N 1.882 121.770 119.914 -0.044 0.000 3.565 263 V HA 0.447 4.567 4.120 0.000 0.000 0.260 263 V C 0.483 176.553 176.094 -0.040 0.000 1.231 263 V CA 0.498 62.769 62.300 -0.049 0.000 1.100 263 V CB -0.235 31.547 31.823 -0.067 0.000 0.807 263 V HN 0.786 nan 8.190 nan 0.000 0.454 264 K N 0.592 120.968 120.400 -0.039 0.000 2.610 264 K HA 0.537 4.857 4.320 0.000 0.000 0.267 264 K C -1.423 175.106 176.600 -0.118 0.000 0.943 264 K CA 0.374 56.623 56.287 -0.063 0.000 0.862 264 K CB 2.133 34.608 32.500 -0.041 0.000 1.376 264 K HN 0.472 nan 8.250 nan 0.000 0.412 265 S N 0.602 116.171 115.700 -0.220 0.000 2.588 265 S HA 0.817 5.287 4.470 0.000 0.000 0.275 265 S C -1.293 173.058 174.600 -0.416 0.000 1.130 265 S CA -0.748 57.177 58.200 -0.458 0.000 0.855 265 S CB 2.148 64.893 63.200 -0.758 0.000 1.116 265 S HN 0.262 nan 8.310 nan 0.000 0.472 266 V N 1.050 120.659 119.914 -0.510 0.000 2.851 266 V HA 0.484 4.604 4.120 0.000 0.000 0.307 266 V C -0.809 175.014 176.094 -0.452 0.000 1.129 266 V CA -0.627 61.448 62.300 -0.374 0.000 0.932 266 V CB 1.853 33.545 31.823 -0.217 0.000 1.024 266 V HN 1.051 nan 8.190 nan 0.000 0.426 267 E N 4.415 124.400 120.200 -0.359 0.000 2.130 267 E HA 0.461 4.811 4.350 0.000 0.000 0.284 267 E C -0.728 175.724 176.600 -0.247 0.000 1.018 267 E CA -0.553 55.652 56.400 -0.325 0.000 0.817 267 E CB 0.871 30.402 29.700 -0.282 0.000 1.078 267 E HN 0.610 nan 8.360 nan 0.000 0.396 268 L N 4.147 125.170 121.223 -0.335 0.000 2.540 268 L HA -0.002 4.338 4.340 0.000 0.000 0.276 268 L C 0.517 177.352 176.870 -0.059 0.000 1.212 268 L CA 0.221 54.804 54.840 -0.429 0.000 0.893 268 L CB 0.198 41.960 42.059 -0.496 0.000 1.138 268 L HN 0.669 nan 8.230 nan 0.000 0.491 269 D N 3.165 123.612 120.400 0.078 0.000 2.741 269 D HA 0.268 4.908 4.640 0.000 0.000 0.233 269 D C 0.135 176.504 176.300 0.115 0.000 1.160 269 D CA -0.259 53.813 54.000 0.121 0.000 1.003 269 D CB 0.457 41.341 40.800 0.139 0.000 1.064 269 D HN 0.503 nan 8.370 nan 0.000 0.503 270 A N 3.286 126.194 122.820 0.146 0.000 3.173 270 A HA 0.366 4.686 4.320 0.000 0.000 0.304 270 A C -2.326 175.497 177.584 0.398 0.000 1.318 270 A CA -1.270 50.836 52.037 0.114 0.000 1.069 270 A CB -0.014 19.020 19.000 0.057 0.000 1.147 270 A HN 0.336 nan 8.150 nan 0.000 0.547 271 P HA 0.056 nan 4.420 nan 0.000 0.271 271 P C 0.206 177.816 177.300 0.516 0.000 1.216 271 P CA 0.463 63.798 63.100 0.393 0.000 0.771 271 P CB 0.808 32.664 31.700 0.260 0.000 0.864 272 N N 0.515 119.564 118.700 0.581 0.000 2.965 272 N HA -0.203 4.537 4.740 0.000 0.000 0.232 272 N C -1.062 174.730 175.510 0.470 0.000 0.913 272 N CA 1.165 54.505 53.050 0.483 0.000 0.981 272 N CB -1.925 36.674 38.487 0.187 0.000 1.077 272 N HN 0.349 nan 8.380 nan 0.000 0.589 273 Y N 0.436 121.025 120.300 0.481 0.000 2.432 273 Y HA 0.596 5.146 4.550 0.000 0.000 0.322 273 Y C 0.706 176.868 175.900 0.436 0.000 1.246 273 Y CA -0.207 58.117 58.100 0.373 0.000 1.268 273 Y CB 1.154 39.732 38.460 0.198 0.000 1.276 273 Y HN 0.114 nan 8.280 nan 0.000 0.499 274 H N 1.940 121.042 119.070 0.053 0.000 3.224 274 H HA 0.251 4.807 4.556 0.000 0.000 0.331 274 H C -2.023 173.043 175.328 -0.436 0.000 1.002 274 H CA -0.553 55.500 56.048 0.009 0.000 1.473 274 H CB 0.593 30.549 29.762 0.323 0.000 1.830 274 H HN 0.677 nan 8.280 nan 0.000 0.485 275 Y N 2.875 122.692 120.300 -0.805 0.000 2.335 275 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 275 Y C 0.205 175.965 175.900 -0.232 0.000 0.977 275 Y CA -0.399 57.409 58.100 -0.487 0.000 1.114 275 Y CB 1.787 39.907 38.460 -0.566 0.000 1.182 275 Y HN 0.521 nan 8.280 nan 0.000 0.463 276 E N 1.256 121.483 120.200 0.045 0.000 2.392 276 E HA 0.218 4.568 4.350 0.000 0.000 0.279 276 E C -1.153 175.494 176.600 0.079 0.000 0.964 276 E CA -1.026 55.420 56.400 0.077 0.000 0.777 276 E CB 1.848 31.593 29.700 0.075 0.000 1.249 276 E HN 0.668 nan 8.360 nan 0.000 0.449 277 E N -0.002 120.253 120.200 0.093 0.000 2.165 277 E HA -0.247 4.103 4.350 0.000 0.000 0.203 277 E C -0.742 175.904 176.600 0.077 0.000 1.335 277 E CA 0.099 56.544 56.400 0.076 0.000 0.708 277 E CB -1.774 27.929 29.700 0.005 0.000 1.105 277 E HN 0.320 nan 8.360 nan 0.000 0.346 278 c N 1.367 120.035 118.600 0.113 0.000 2.648 278 c HA 0.132 4.702 4.570 0.000 0.000 0.419 278 c C 1.235 175.410 174.090 0.140 0.000 1.352 278 c CA -0.193 56.219 56.329 0.138 0.000 1.816 278 c CB 0.337 42.943 42.510 0.160 0.000 2.598 278 c HN 0.384 nan 8.230 nan 0.000 0.598 279 S N 2.448 118.244 115.700 0.160 0.000 2.434 279 S HA 0.344 4.814 4.470 0.000 0.000 0.318 279 S C -0.099 174.642 174.600 0.235 0.000 1.062 279 S CA -0.451 57.859 58.200 0.184 0.000 1.116 279 S CB 0.124 63.425 63.200 0.168 0.000 0.977 279 S HN 0.845 nan 8.310 nan 0.000 0.480 280 c N 3.446 122.184 118.600 0.229 0.000 2.358 280 c HA 0.896 5.466 4.570 0.000 0.000 0.354 280 c C -0.442 173.836 174.090 0.313 0.000 1.183 280 c CA -0.904 55.546 56.329 0.200 0.000 2.150 280 c CB -0.060 42.539 42.510 0.148 0.000 2.361 280 c HN 0.900 nan 8.230 nan 0.000 0.535 281 Y N -0.685 119.675 120.300 0.100 0.000 2.592 281 Y HA 0.697 5.247 4.550 0.000 0.000 0.334 281 Y C -3.263 172.662 175.900 0.042 0.000 1.136 281 Y CA -2.752 55.427 58.100 0.132 0.000 1.042 281 Y CB 0.488 39.092 38.460 0.240 0.000 1.325 281 Y HN 0.462 nan 8.280 nan 0.000 0.457 282 P HA 0.289 nan 4.420 nan 0.000 0.284 282 P C -1.270 176.066 177.300 0.059 0.000 1.253 282 P CA -0.210 62.897 63.100 0.011 0.000 0.800 282 P CB 1.748 33.495 31.700 0.079 0.000 0.961 283 N N 1.633 120.292 118.700 -0.069 0.000 2.542 283 N HA 0.315 5.056 4.740 0.000 0.000 0.288 283 N C -0.631 174.825 175.510 -0.090 0.000 1.115 283 N CA -0.076 52.947 53.050 -0.045 0.000 0.924 283 N CB 1.089 39.545 38.487 -0.051 0.000 1.526 283 N HN 0.515 nan 8.380 nan 0.000 0.515 284 A N 2.420 125.204 122.820 -0.059 0.000 2.415 284 A HA 0.032 4.352 4.320 0.000 0.000 0.292 284 A C 1.484 179.028 177.584 -0.066 0.000 1.452 284 A CA 2.159 54.162 52.037 -0.057 0.000 0.750 284 A CB -2.056 16.905 19.000 -0.066 0.000 1.099 284 A HN 2.043 nan 8.150 nan 0.000 0.391 285 G N -1.714 107.052 108.800 -0.056 0.000 2.184 285 G HA2 -0.256 3.704 3.960 0.000 0.000 0.264 285 G HA3 -0.256 3.704 3.960 0.000 0.000 0.264 285 G C -0.113 174.712 174.900 -0.125 0.000 0.975 285 G CA 1.047 46.112 45.100 -0.059 0.000 0.642 285 G HN 1.384 nan 8.290 nan 0.000 0.536 286 E N -0.796 119.291 120.200 -0.189 0.000 2.336 286 E HA 0.670 5.020 4.350 0.000 0.000 0.267 286 E C -0.880 175.448 176.600 -0.453 0.000 0.906 286 E CA -1.162 55.047 56.400 -0.318 0.000 0.781 286 E CB 1.831 31.372 29.700 -0.265 0.000 1.261 286 E HN 0.107 nan 8.360 nan 0.000 0.436 287 I N 0.971 121.093 120.570 -0.747 0.000 2.428 287 I HA 0.224 4.394 4.170 0.000 0.000 0.296 287 I C -0.038 175.575 176.117 -0.839 0.000 0.985 287 I CA 0.015 60.799 61.300 -0.861 0.000 1.260 287 I CB 1.715 38.995 38.000 -1.200 0.000 1.389 287 I HN 0.325 nan 8.210 nan 0.000 0.484 288 T N 4.556 118.644 114.554 -0.775 0.000 2.881 288 T HA 0.435 4.785 4.350 0.000 0.000 0.291 288 T C -1.064 173.402 174.700 -0.391 0.000 0.990 288 T CA -0.374 61.364 62.100 -0.603 0.000 0.976 288 T CB 0.705 69.095 68.868 -0.796 0.000 0.970 288 T HN 0.512 nan 8.240 nan 0.000 0.438 289 c N 3.412 122.007 118.600 -0.008 0.000 2.345 289 c HA 0.705 5.275 4.570 0.000 0.000 0.323 289 c C 0.278 174.558 174.090 0.316 0.000 1.276 289 c CA -0.906 55.520 56.329 0.161 0.000 1.543 289 c CB 0.505 43.127 42.510 0.186 0.000 2.211 289 c HN 0.681 nan 8.230 nan 0.000 0.493 290 V N 3.130 123.224 119.914 0.300 0.000 2.370 290 V HA 0.465 4.585 4.120 0.000 0.000 0.283 290 V C 0.300 176.509 176.094 0.192 0.000 1.023 290 V CA -0.025 62.444 62.300 0.282 0.000 0.857 290 V CB 0.781 32.742 31.823 0.230 0.000 0.985 290 V HN 1.158 nan 8.190 nan 0.000 0.443 291 c N 3.784 122.477 118.600 0.154 0.000 3.156 291 c HA 0.727 5.297 4.570 0.000 0.000 0.376 291 c C 0.246 174.334 174.090 -0.003 0.000 2.688 291 c CA -0.955 55.434 56.329 0.100 0.000 1.735 291 c CB 1.324 43.955 42.510 0.202 0.000 2.823 291 c HN 0.880 nan 8.230 nan 0.000 0.483 292 R N 1.218 121.708 120.500 -0.016 0.000 2.451 292 R HA 0.355 4.695 4.340 0.000 0.000 0.307 292 R C -1.847 174.462 176.300 0.014 0.000 0.965 292 R CA -0.034 56.049 56.100 -0.029 0.000 0.865 292 R CB 0.863 31.138 30.300 -0.043 0.000 1.174 292 R HN 0.810 nan 8.270 nan 0.000 0.455 293 D N 3.274 123.692 120.400 0.029 0.000 2.380 293 D HA 0.051 4.692 4.640 0.000 0.000 0.230 293 D C -0.054 176.373 176.300 0.212 0.000 1.154 293 D CA -0.151 53.963 54.000 0.190 0.000 0.859 293 D CB 1.152 42.066 40.800 0.190 0.000 1.045 293 D HN 0.658 nan 8.370 nan 0.000 0.495 294 N N 3.324 122.226 118.700 0.337 0.000 2.353 294 N HA 0.002 4.742 4.740 0.000 0.000 0.185 294 N C 0.927 176.464 175.510 0.046 0.000 1.098 294 N CA -0.032 53.110 53.050 0.153 0.000 0.872 294 N CB 0.079 38.690 38.487 0.205 0.000 0.970 294 N HN 0.478 nan 8.380 nan 0.000 0.467 295 W N 1.221 122.247 121.300 -0.456 0.000 2.539 295 W HA 0.032 4.692 4.660 0.000 0.000 0.315 295 W C 0.115 176.495 176.519 -0.231 0.000 1.148 295 W CA 1.892 58.894 57.345 -0.572 0.000 1.403 295 W CB -0.571 28.292 29.460 -0.995 0.000 1.168 295 W HN 0.350 nan 8.180 nan 0.000 0.489 296 H N -1.953 117.035 119.070 -0.137 0.000 3.345 296 H HA 0.519 5.075 4.556 0.000 0.000 0.215 296 H C -0.488 174.682 175.328 -0.263 0.000 1.368 296 H CA -1.001 54.864 56.048 -0.306 0.000 1.211 296 H CB -0.373 29.000 29.762 -0.648 0.000 2.467 296 H HN 0.086 nan 8.280 nan 0.000 0.530 297 G N -0.272 108.584 108.800 0.093 0.000 2.723 297 G HA2 0.449 4.409 3.960 0.000 0.000 0.295 297 G HA3 0.449 4.409 3.960 0.000 0.000 0.295 297 G C 0.187 175.095 174.900 0.014 0.000 1.464 297 G CA -0.490 44.632 45.100 0.037 0.000 1.012 297 G HN 0.229 nan 8.290 nan 0.000 0.522 298 S N 1.382 117.034 115.700 -0.080 0.000 2.503 298 S HA 0.038 4.508 4.470 0.000 0.000 0.217 298 S C 0.942 175.556 174.600 0.023 0.000 0.999 298 S CA -0.231 57.903 58.200 -0.111 0.000 0.914 298 S CB -0.090 62.890 63.200 -0.366 0.000 0.782 298 S HN 0.754 nan 8.310 nan 0.000 0.520 299 N N 1.831 120.593 118.700 0.103 0.000 2.466 299 N HA 0.276 5.016 4.740 0.000 0.000 0.294 299 N C -0.967 174.632 175.510 0.149 0.000 1.129 299 N CA -0.740 52.426 53.050 0.192 0.000 0.931 299 N CB 0.983 39.614 38.487 0.241 0.000 1.193 299 N HN 0.033 nan 8.380 nan 0.000 0.500 300 R N 0.541 121.066 120.500 0.041 0.000 2.308 300 R HA 0.362 4.702 4.340 0.000 0.000 0.305 300 R C -2.021 174.116 176.300 -0.271 0.000 1.053 300 R CA -1.353 54.699 56.100 -0.080 0.000 0.957 300 R CB 0.939 31.207 30.300 -0.054 0.000 1.022 300 R HN 0.539 nan 8.270 nan 0.000 0.461 301 P HA 0.207 nan 4.420 nan 0.000 0.279 301 P C -0.864 176.310 177.300 -0.210 0.000 1.252 301 P CA -0.359 62.043 63.100 -1.162 0.000 0.811 301 P CB 0.928 31.557 31.700 -1.785 0.000 1.035 302 W N -0.264 121.049 121.300 0.022 0.000 3.062 302 W HA 0.654 5.314 4.660 0.000 0.000 0.336 302 W C -2.419 174.309 176.519 0.349 0.000 1.224 302 W CA -1.246 56.252 57.345 0.255 0.000 1.159 302 W CB 0.920 30.507 29.460 0.211 0.000 1.454 302 W HN -0.013 nan 8.180 nan 0.000 0.569 303 V N 2.336 122.646 119.914 0.661 0.000 2.711 303 V HA 0.397 4.517 4.120 0.000 0.000 0.304 303 V C -0.282 176.087 176.094 0.458 0.000 1.097 303 V CA -0.641 61.919 62.300 0.433 0.000 0.906 303 V CB 1.549 33.377 31.823 0.009 0.000 1.015 303 V HN 0.643 nan 8.190 nan 0.000 0.427 304 S N 4.129 120.121 115.700 0.488 0.000 2.536 304 S HA 1.009 5.479 4.470 0.000 0.000 0.298 304 S C -0.924 173.787 174.600 0.186 0.000 1.083 304 S CA -0.728 57.529 58.200 0.095 0.000 0.995 304 S CB 2.316 65.548 63.200 0.054 0.000 1.058 304 S HN 1.133 nan 8.310 nan 0.000 0.488 305 F N -1.012 118.931 119.950 -0.012 0.000 2.703 305 F HA 0.691 5.219 4.527 0.000 0.000 0.308 305 F C -0.895 174.815 175.800 -0.150 0.000 1.126 305 F CA -1.176 56.810 58.000 -0.023 0.000 0.959 305 F CB 0.485 39.497 39.000 0.021 0.000 1.297 305 F HN 0.645 nan 8.300 nan 0.000 0.441 309 N N 0.811 119.609 118.700 0.164 0.000 2.214 309 N HA 0.145 4.885 4.740 0.000 0.000 0.214 309 N C -0.253 175.321 175.510 0.107 0.000 1.132 309 N CA 0.256 53.382 53.050 0.127 0.000 0.856 309 N CB 0.961 39.491 38.487 0.071 0.000 1.020 309 N HN 0.051 nan 8.380 nan 0.000 0.509 310 L N 0.811 122.122 121.223 0.146 0.000 3.865 310 L HA -0.228 4.112 4.340 0.000 0.000 0.408 310 L C -0.348 176.603 176.870 0.135 0.000 1.209 310 L CA 0.830 55.710 54.840 0.066 0.000 0.940 310 L CB -2.130 39.900 42.059 -0.048 0.000 1.971 310 L HN 0.207 nan 8.230 nan 0.000 0.899 311 E N -0.155 120.126 120.200 0.135 0.000 2.167 311 E HA 0.534 4.884 4.350 0.000 0.000 0.284 311 E C -0.199 176.476 176.600 0.124 0.000 1.016 311 E CA -0.499 55.927 56.400 0.044 0.000 0.817 311 E CB 0.923 30.622 29.700 -0.001 0.000 1.080 311 E HN 0.376 nan 8.360 nan 0.000 0.397 312 Y N 0.061 120.402 120.300 0.067 0.000 2.693 312 Y HA 0.601 5.151 4.550 0.000 0.000 0.331 312 Y C -0.604 175.362 175.900 0.110 0.000 1.092 312 Y CA -1.236 56.942 58.100 0.129 0.000 1.131 312 Y CB 1.291 39.818 38.460 0.111 0.000 1.318 312 Y HN 0.263 nan 8.280 nan 0.000 0.510 313 Q N 1.677 121.712 119.800 0.391 0.000 2.345 313 Q HA 0.660 5.000 4.340 0.000 0.000 0.275 313 Q C -1.191 175.003 176.000 0.323 0.000 1.063 313 Q CA -0.950 55.051 55.803 0.329 0.000 0.819 313 Q CB 3.454 32.447 28.738 0.426 0.000 1.356 313 Q HN 0.818 nan 8.270 nan 0.000 0.418 314 I N -2.502 118.038 120.570 -0.050 0.000 3.206 314 I HA 1.014 5.184 4.170 0.000 0.000 0.313 314 I C 0.009 175.561 176.117 -0.941 0.000 1.103 314 I CA -0.874 60.117 61.300 -0.516 0.000 0.985 314 I CB 2.364 40.114 38.000 -0.417 0.000 1.240 314 I HN 0.721 nan 8.210 nan 0.000 0.464 315 G N 0.582 108.864 108.800 -0.864 0.000 2.352 315 G HA2 0.343 4.303 3.960 0.000 0.000 0.283 315 G HA3 0.343 4.303 3.960 0.000 0.000 0.283 315 G C -2.464 172.086 174.900 -0.583 0.000 1.308 315 G CA -0.708 44.122 45.100 -0.449 0.000 0.892 315 G HN 0.664 nan 8.290 nan 0.000 0.504 316 Y N -0.683 119.388 120.300 -0.381 0.000 2.545 316 Y HA 0.663 5.213 4.550 0.000 0.000 0.348 316 Y C 0.823 176.697 175.900 -0.043 0.000 1.002 316 Y CA -0.945 57.029 58.100 -0.210 0.000 1.039 316 Y CB 1.763 40.076 38.460 -0.245 0.000 1.271 316 Y HN 0.551 nan 8.280 nan 0.000 0.467 317 I N 2.156 122.732 120.570 0.009 0.000 2.618 317 I HA -0.085 4.085 4.170 0.000 0.000 0.284 317 I C 0.277 176.331 176.117 -0.105 0.000 1.146 317 I CA 0.291 61.424 61.300 -0.280 0.000 1.425 317 I CB 0.439 38.277 38.000 -0.269 0.000 1.383 317 I HN 0.762 nan 8.210 nan 0.000 0.562 318 c N 3.253 121.775 118.600 -0.130 0.000 2.696 318 c HA 0.062 4.632 4.570 0.000 0.000 0.264 318 c C 1.580 175.605 174.090 -0.108 0.000 1.288 318 c CA -0.370 55.918 56.329 -0.068 0.000 1.717 318 c CB -1.247 41.243 42.510 -0.034 0.000 1.893 318 c HN 0.859 nan 8.230 nan 0.000 0.577 319 S N 1.211 116.821 115.700 -0.150 0.000 2.559 319 S HA 0.273 4.743 4.470 0.000 0.000 0.282 319 S C 1.454 175.832 174.600 -0.369 0.000 1.336 319 S CA 0.678 58.749 58.200 -0.215 0.000 1.037 319 S CB 0.612 63.680 63.200 -0.219 0.000 0.853 319 S HN 0.612 nan 8.310 nan 0.000 0.523 320 G N 2.134 110.673 108.800 -0.435 0.000 2.623 320 G HA2 0.062 4.022 3.960 0.000 0.000 0.214 320 G HA3 0.062 4.022 3.960 0.000 0.000 0.214 320 G C 0.251 174.465 174.900 -1.144 0.000 1.138 320 G CA 0.065 44.714 45.100 -0.752 0.000 0.794 320 G HN 0.646 nan 8.290 nan 0.000 0.535 321 V N 3.046 122.569 119.914 -0.652 0.000 2.302 321 V HA 0.208 4.328 4.120 0.000 0.000 0.244 321 V C -0.200 175.614 176.094 -0.467 0.000 1.160 321 V CA -0.738 61.252 62.300 -0.516 0.000 1.127 321 V CB -1.306 30.271 31.823 -0.410 0.000 1.253 321 V HN 0.188 nan 8.190 nan 0.000 0.496 322 F N 2.058 121.935 119.950 -0.122 0.000 2.578 322 F HA 0.282 4.809 4.527 0.000 0.000 0.376 322 F C 1.599 177.317 175.800 -0.138 0.000 1.085 322 F CA 0.409 58.342 58.000 -0.112 0.000 1.260 322 F CB 0.565 39.514 39.000 -0.085 0.000 1.095 322 F HN 0.442 nan 8.300 nan 0.000 0.573 323 G N 1.111 109.929 108.800 0.030 0.000 3.126 323 G HA2 -0.029 3.931 3.960 0.000 0.000 0.224 323 G HA3 -0.029 3.931 3.960 0.000 0.000 0.224 323 G C 0.076 174.946 174.900 -0.051 0.000 1.142 323 G CA -0.054 45.000 45.100 -0.076 0.000 0.759 323 G HN 0.535 nan 8.290 nan 0.000 0.550 324 D N 0.220 120.624 120.400 0.006 0.000 2.478 324 D HA 0.285 4.925 4.640 0.000 0.000 0.269 324 D C -0.520 175.784 176.300 0.007 0.000 1.232 324 D CA -0.565 53.432 54.000 -0.006 0.000 1.059 324 D CB 0.810 41.609 40.800 -0.002 0.000 1.104 324 D HN 0.027 nan 8.370 nan 0.000 0.566 325 N N 0.353 119.060 118.700 0.012 0.000 2.578 325 N HA 0.178 4.918 4.740 0.000 0.000 0.282 325 N C -3.054 172.499 175.510 0.072 0.000 1.119 325 N CA -1.100 51.982 53.050 0.054 0.000 0.948 325 N CB 2.386 40.924 38.487 0.085 0.000 1.546 325 N HN 0.117 nan 8.380 nan 0.000 0.525 326 P HA 0.218 nan 4.420 nan 0.000 0.271 326 P C -0.842 176.475 177.300 0.029 0.000 1.244 326 P CA 0.094 63.256 63.100 0.103 0.000 0.793 326 P CB 1.088 32.870 31.700 0.137 0.000 0.984 327 R N -1.069 119.427 120.500 -0.006 0.000 2.709 327 R HA 0.550 4.890 4.340 0.000 0.000 0.270 327 R C -3.161 173.079 176.300 -0.101 0.000 1.038 327 R CA -1.768 54.279 56.100 -0.087 0.000 0.872 327 R CB 0.680 30.963 30.300 -0.029 0.000 1.259 327 R HN 0.183 nan 8.270 nan 0.000 0.473 328 P HA 0.157 nan 4.420 nan 0.000 0.279 328 P C -0.878 176.428 177.300 0.009 0.000 1.276 328 P CA -0.562 62.446 63.100 -0.152 0.000 0.801 328 P CB 0.553 32.084 31.700 -0.283 0.000 1.127 329 N N 0.406 119.142 118.700 0.060 0.000 2.415 329 N HA 0.024 4.764 4.740 0.000 0.000 0.248 329 N C -0.185 175.497 175.510 0.287 0.000 1.271 329 N CA 0.259 53.386 53.050 0.128 0.000 0.913 329 N CB -0.194 38.337 38.487 0.073 0.000 1.129 329 N HN 0.344 nan 8.380 nan 0.000 0.444 330 D N 0.762 121.288 120.400 0.209 0.000 2.385 330 D HA 0.126 4.766 4.640 0.000 0.000 0.260 330 D C 1.027 177.377 176.300 0.084 0.000 1.326 330 D CA 0.163 54.224 54.000 0.101 0.000 1.023 330 D CB 0.004 40.763 40.800 -0.069 0.000 1.083 330 D HN 0.536 nan 8.370 nan 0.000 0.517 331 G N 1.196 110.135 108.800 0.232 0.000 3.198 331 G HA2 0.211 4.171 3.960 0.000 0.000 0.203 331 G HA3 0.211 4.171 3.960 0.000 0.000 0.203 331 G C -0.177 174.751 174.900 0.047 0.000 1.950 331 G CA -0.167 45.012 45.100 0.132 0.000 0.798 331 G HN 0.313 nan 8.290 nan 0.000 0.720 332 T N 0.585 115.209 114.554 0.117 0.000 2.791 332 T HA 0.604 4.955 4.350 0.000 0.000 0.288 332 T C 0.409 175.182 174.700 0.122 0.000 0.999 332 T CA -0.009 62.117 62.100 0.044 0.000 0.952 332 T CB 1.203 70.083 68.868 0.020 0.000 0.938 332 T HN 0.600 nan 8.240 nan 0.000 0.444 340 P HA -0.144 nan 4.420 nan 0.000 0.249 340 P C 0.550 177.477 177.300 -0.622 0.000 1.084 340 P CA 0.397 62.847 63.100 -1.084 0.000 0.773 340 P CB 0.189 31.239 31.700 -1.083 0.000 0.666 341 V N 3.635 123.318 119.914 -0.384 0.000 2.470 341 V HA 0.021 4.142 4.120 0.000 0.000 0.276 341 V C 2.045 177.937 176.094 -0.336 0.000 1.040 341 V CA 0.830 62.938 62.300 -0.319 0.000 1.008 341 V CB 0.565 32.221 31.823 -0.278 0.000 0.990 341 V HN 0.670 nan 8.190 nan 0.000 0.477 342 S N 3.031 118.526 115.700 -0.341 0.000 2.395 342 S HA -0.077 4.393 4.470 0.000 0.000 0.225 342 S C 1.310 175.787 174.600 -0.205 0.000 1.027 342 S CA 0.531 58.560 58.200 -0.285 0.000 0.965 342 S CB -0.339 62.682 63.200 -0.299 0.000 0.812 342 S HN 0.961 nan 8.310 nan 0.000 0.482 343 S N 2.824 118.393 115.700 -0.218 0.000 2.711 343 S HA 0.210 4.680 4.470 0.000 0.000 0.335 343 S C 0.556 175.041 174.600 -0.190 0.000 1.175 343 S CA 0.047 58.136 58.200 -0.185 0.000 1.372 343 S CB -0.745 62.348 63.200 -0.178 0.000 1.337 343 S HN 0.574 nan 8.310 nan 0.000 0.572 344 N N 1.984 120.611 118.700 -0.122 0.000 2.976 344 N HA -0.133 4.607 4.740 0.000 0.000 0.206 344 N C 0.491 175.967 175.510 -0.058 0.000 0.910 344 N CA 1.367 54.366 53.050 -0.084 0.000 1.030 344 N CB -1.556 36.868 38.487 -0.105 0.000 1.019 344 N HN 0.857 nan 8.380 nan 0.000 0.577 345 G N -0.036 108.712 108.800 -0.088 0.000 3.882 345 G HA2 0.568 4.528 3.960 0.000 0.000 0.283 345 G HA3 0.568 4.528 3.960 0.000 0.000 0.283 345 G C 0.803 175.719 174.900 0.027 0.000 1.283 345 G CA 0.559 45.635 45.100 -0.040 0.000 1.402 345 G HN 0.473 nan 8.290 nan 0.000 0.618 346 A N -0.246 122.615 122.820 0.067 0.000 2.415 346 A HA 0.599 4.919 4.320 0.000 0.000 0.248 346 A C 0.099 177.808 177.584 0.208 0.000 1.299 346 A CA -0.215 51.889 52.037 0.112 0.000 0.899 346 A CB -0.049 19.003 19.000 0.087 0.000 0.997 346 A HN 0.537 nan 8.150 nan 0.000 0.506 347 Y N -1.682 118.646 120.300 0.046 0.000 3.193 347 Y HA 0.592 5.142 4.550 0.000 0.000 0.256 347 Y C 0.305 176.252 175.900 0.079 0.000 2.210 347 Y CA -0.340 57.799 58.100 0.066 0.000 0.989 347 Y CB 0.371 38.868 38.460 0.061 0.000 1.988 347 Y HN 0.560 nan 8.280 nan 0.000 0.441 348 G N 0.152 108.555 108.800 -0.661 0.000 2.343 348 G HA2 0.458 4.418 3.960 0.000 0.000 0.289 348 G HA3 0.458 4.418 3.960 0.000 0.000 0.289 348 G C -2.469 172.154 174.900 -0.461 0.000 1.295 348 G CA -0.047 44.819 45.100 -0.389 0.000 0.869 348 G HN 1.205 nan 8.290 nan 0.000 0.522 349 V N -0.005 119.781 119.914 -0.213 0.000 2.924 349 V HA 0.653 4.773 4.120 0.000 0.000 0.300 349 V C -0.063 175.876 176.094 -0.257 0.000 1.227 349 V CA -0.775 61.430 62.300 -0.157 0.000 0.954 349 V CB 1.795 33.647 31.823 0.049 0.000 1.055 349 V HN 1.092 nan 8.190 nan 0.000 0.429 350 K N 3.628 123.635 120.400 -0.655 0.000 2.511 350 K HA 0.470 4.791 4.320 0.000 0.000 0.280 350 K C 0.098 176.584 176.600 -0.190 0.000 1.008 350 K CA 1.146 57.122 56.287 -0.518 0.000 1.050 350 K CB 0.446 32.431 32.500 -0.859 0.000 0.889 350 K HN 1.027 nan 8.250 nan 0.000 0.484 351 G N 2.473 111.239 108.800 -0.056 0.000 2.721 351 G HA2 0.640 4.600 3.960 0.000 0.000 0.296 351 G HA3 0.640 4.600 3.960 0.000 0.000 0.296 351 G C -1.603 173.383 174.900 0.144 0.000 1.383 351 G CA -0.834 44.309 45.100 0.073 0.000 0.788 351 G HN 0.612 nan 8.290 nan 0.000 0.500 352 F N -1.857 118.013 119.950 -0.133 0.000 2.869 352 F HA 0.920 5.447 4.527 0.000 0.000 0.325 352 F C -0.495 175.206 175.800 -0.165 0.000 1.184 352 F CA -1.864 56.032 58.000 -0.173 0.000 0.951 352 F CB 1.557 40.372 39.000 -0.309 0.000 1.421 352 F HN 0.641 nan 8.300 nan 0.000 0.501 353 S N -0.301 115.163 115.700 -0.394 0.000 2.580 353 S HA 0.565 5.035 4.470 0.000 0.000 0.281 353 S C -1.991 172.539 174.600 -0.117 0.000 1.129 353 S CA -0.655 57.369 58.200 -0.292 0.000 0.862 353 S CB 1.098 64.303 63.200 0.008 0.000 1.090 353 S HN 0.591 nan 8.310 nan 0.000 0.451 354 F N 2.258 122.395 119.950 0.313 0.000 2.403 354 F HA 0.453 4.980 4.527 0.000 0.000 0.355 354 F C 0.293 176.352 175.800 0.431 0.000 1.119 354 F CA -0.665 57.505 58.000 0.284 0.000 1.007 354 F CB 1.377 40.605 39.000 0.379 0.000 1.194 354 F HN 0.355 nan 8.300 nan 0.000 0.443 355 K N 4.253 124.870 120.400 0.362 0.000 2.297 355 K HA 0.298 4.618 4.320 0.000 0.000 0.286 355 K C -1.804 174.805 176.600 0.015 0.000 1.053 355 K CA -0.230 56.060 56.287 0.005 0.000 0.940 355 K CB 0.537 32.468 32.500 -0.949 0.000 1.019 355 K HN 0.601 nan 8.250 nan 0.000 0.475 356 Y N 3.751 124.122 120.300 0.118 0.000 2.402 356 Y HA 0.260 4.811 4.550 0.000 0.000 0.325 356 Y C 0.844 176.797 175.900 0.090 0.000 1.009 356 Y CA 0.368 58.545 58.100 0.130 0.000 1.278 356 Y CB 1.665 40.268 38.460 0.238 0.000 1.105 356 Y HN 1.056 nan 8.280 nan 0.000 0.476 357 G N 2.723 111.563 108.800 0.067 0.000 2.574 357 G HA2 -0.385 3.575 3.960 0.000 0.000 0.301 357 G HA3 -0.385 3.575 3.960 0.000 0.000 0.301 357 G C 0.969 175.847 174.900 -0.037 0.000 1.166 357 G CA 0.714 45.830 45.100 0.026 0.000 0.971 357 G HN 0.541 nan 8.290 nan 0.000 0.542 358 N N 2.370 121.094 118.700 0.039 0.000 2.254 358 N HA 0.217 4.957 4.740 0.000 0.000 0.190 358 N C 1.187 176.746 175.510 0.081 0.000 1.107 358 N CA 0.943 54.027 53.050 0.057 0.000 0.869 358 N CB 0.561 39.082 38.487 0.056 0.000 0.983 358 N HN 0.799 nan 8.380 nan 0.000 0.487 359 G N 0.507 109.351 108.800 0.073 0.000 2.580 359 G HA2 0.493 4.453 3.960 0.000 0.000 0.278 359 G HA3 0.493 4.453 3.960 0.000 0.000 0.278 359 G C -0.355 174.632 174.900 0.147 0.000 1.212 359 G CA -0.138 44.879 45.100 -0.138 0.000 0.939 359 G HN -0.061 nan 8.290 nan 0.000 0.513 360 V N -1.928 117.973 119.914 -0.022 0.000 2.932 360 V HA 0.462 4.582 4.120 0.000 0.000 0.307 360 V C -1.630 174.733 176.094 0.447 0.000 1.147 360 V CA -1.072 61.462 62.300 0.390 0.000 0.951 360 V CB 1.998 34.004 31.823 0.305 0.000 1.031 360 V HN 0.807 nan 8.190 nan 0.000 0.426 361 W N 3.601 125.265 121.300 0.607 0.000 2.282 361 W HA 0.744 5.404 4.660 0.000 0.000 0.322 361 W C -0.313 176.266 176.519 0.101 0.000 1.011 361 W CA -0.262 57.384 57.345 0.501 0.000 1.392 361 W CB 1.423 31.280 29.460 0.663 0.000 1.215 361 W HN 0.439 nan 8.180 nan 0.000 0.394 362 I N 3.985 124.635 120.570 0.133 0.000 2.353 362 I HA 0.486 4.656 4.170 0.000 0.000 0.293 362 I C 0.901 176.767 176.117 -0.419 0.000 0.992 362 I CA -0.609 60.566 61.300 -0.208 0.000 1.268 362 I CB 1.018 38.884 38.000 -0.223 0.000 1.387 362 I HN 0.404 nan 8.210 nan 0.000 0.478 363 G N 5.931 114.243 108.800 -0.814 0.000 2.372 363 G HA2 0.780 4.741 3.960 0.000 0.000 0.323 363 G HA3 0.780 4.741 3.960 0.000 0.000 0.323 363 G C -0.728 173.702 174.900 -0.783 0.000 1.152 363 G CA -0.542 44.025 45.100 -0.889 0.000 0.906 363 G HN 0.804 nan 8.290 nan 0.000 0.460 364 R N -0.240 119.597 120.500 -1.105 0.000 2.728 364 R HA 0.634 4.974 4.340 0.000 0.000 0.274 364 R C -0.177 175.636 176.300 -0.811 0.000 1.030 364 R CA -0.828 54.827 56.100 -0.742 0.000 0.876 364 R CB 0.273 30.333 30.300 -0.399 0.000 1.259 364 R HN 0.582 nan 8.270 nan 0.000 0.468 365 T N -0.944 113.440 114.554 -0.285 0.000 2.802 365 T HA 0.198 4.548 4.350 0.000 0.000 0.305 365 T C 0.619 175.254 174.700 -0.108 0.000 1.053 365 T CA -0.493 61.572 62.100 -0.060 0.000 1.058 365 T CB 0.950 69.868 68.868 0.084 0.000 0.988 365 T HN 0.689 nan 8.240 nan 0.000 0.539 366 K N 0.054 120.436 120.400 -0.030 0.000 2.323 366 K HA 0.151 4.472 4.320 0.000 0.000 0.197 366 K C 1.334 177.925 176.600 -0.014 0.000 1.043 366 K CA 0.034 56.300 56.287 -0.036 0.000 0.997 366 K CB 0.262 32.758 32.500 -0.007 0.000 0.807 366 K HN 0.556 nan 8.250 nan 0.000 0.497 367 S N 0.271 115.976 115.700 0.009 0.000 2.652 367 S HA 0.078 4.548 4.470 0.000 0.000 0.270 367 S C 1.087 175.706 174.600 0.032 0.000 1.243 367 S CA -0.397 57.814 58.200 0.018 0.000 0.999 367 S CB 1.240 64.456 63.200 0.027 0.000 0.973 367 S HN 0.319 nan 8.310 nan 0.000 0.544 368 T N 0.392 114.967 114.554 0.035 0.000 3.023 368 T HA 0.281 4.631 4.350 0.000 0.000 0.253 368 T C 0.793 175.526 174.700 0.056 0.000 1.038 368 T CA -0.117 62.006 62.100 0.039 0.000 0.962 368 T CB -0.151 68.734 68.868 0.028 0.000 1.018 368 T HN 0.544 nan 8.240 nan 0.000 0.521 369 N N 0.756 119.499 118.700 0.071 0.000 2.557 369 N HA 0.236 4.976 4.740 0.000 0.000 0.217 369 N C 0.096 175.691 175.510 0.143 0.000 1.062 369 N CA 0.084 53.190 53.050 0.093 0.000 0.863 369 N CB 0.802 39.331 38.487 0.071 0.000 1.390 369 N HN 0.228 nan 8.380 nan 0.000 0.445 370 S N 0.536 116.326 115.700 0.150 0.000 2.608 370 S HA 0.381 4.851 4.470 0.000 0.000 0.291 370 S C 0.456 175.205 174.600 0.248 0.000 1.146 370 S CA -0.588 57.752 58.200 0.234 0.000 1.043 370 S CB 1.932 65.287 63.200 0.258 0.000 1.037 370 S HN 0.087 nan 8.310 nan 0.000 0.520 371 R N 1.944 122.651 120.500 0.344 0.000 4.792 371 R HA 0.158 4.498 4.340 0.000 0.000 0.205 371 R C -0.253 176.285 176.300 0.397 0.000 1.875 371 R CA -0.148 56.160 56.100 0.347 0.000 1.588 371 R CB -0.499 30.016 30.300 0.358 0.000 1.401 371 R HN 0.560 nan 8.270 nan 0.000 0.834 372 S N -0.774 115.076 115.700 0.249 0.000 2.513 372 S HA 0.796 5.266 4.470 0.000 0.000 0.299 372 S C 0.345 175.005 174.600 0.101 0.000 1.087 372 S CA -0.417 57.850 58.200 0.111 0.000 1.012 372 S CB 2.337 65.416 63.200 -0.201 0.000 1.044 372 S HN 0.539 nan 8.310 nan 0.000 0.485 373 G N 0.641 109.511 108.800 0.115 0.000 2.846 373 G HA2 0.109 4.069 3.960 0.000 0.000 0.660 373 G HA3 0.109 4.069 3.960 0.000 0.000 0.660 373 G C -1.057 174.015 174.900 0.287 0.000 1.464 373 G CA -0.290 44.899 45.100 0.148 0.000 0.891 373 G HN 1.484 nan 8.290 nan 0.000 0.552 374 F N 0.642 120.649 119.950 0.095 0.000 2.672 374 F HA 0.610 5.137 4.527 0.000 0.000 0.311 374 F C -0.469 175.368 175.800 0.061 0.000 1.113 374 F CA 0.035 58.089 58.000 0.090 0.000 0.996 374 F CB 1.729 40.824 39.000 0.158 0.000 1.286 374 F HN 1.059 nan 8.300 nan 0.000 0.441 375 E N 4.829 124.765 120.200 -0.440 0.000 2.412 375 E HA 0.538 4.888 4.350 0.000 0.000 0.279 375 E C -1.911 174.478 176.600 -0.350 0.000 0.984 375 E CA -1.246 55.036 56.400 -0.197 0.000 0.788 375 E CB 2.356 31.980 29.700 -0.126 0.000 1.277 375 E HN 0.353 nan 8.360 nan 0.000 0.455 376 M N 2.217 121.756 119.600 -0.102 0.000 2.227 376 M HA 0.494 4.974 4.480 0.000 0.000 0.335 376 M C -0.893 175.539 176.300 0.221 0.000 1.053 376 M CA -0.665 54.625 55.300 -0.017 0.000 0.973 376 M CB 0.735 33.325 32.600 -0.016 0.000 1.623 376 M HN 0.607 nan 8.290 nan 0.000 0.434 377 I N 2.488 123.132 120.570 0.122 0.000 2.436 377 I HA 0.333 4.504 4.170 0.000 0.000 0.289 377 I C -0.948 175.126 176.117 -0.071 0.000 1.010 377 I CA -0.536 60.724 61.300 -0.066 0.000 1.098 377 I CB 2.125 39.808 38.000 -0.528 0.000 1.266 377 I HN 0.728 nan 8.210 nan 0.000 0.434 378 W N 7.997 128.991 121.300 -0.509 0.000 2.288 378 W HA 0.299 4.959 4.660 0.000 0.000 0.325 378 W C -0.986 175.327 176.519 -0.343 0.000 1.019 378 W CA -0.465 56.327 57.345 -0.922 0.000 1.403 378 W CB 1.121 29.677 29.460 -1.506 0.000 1.226 378 W HN 0.488 nan 8.180 nan 0.000 0.391 379 D N 9.433 129.393 120.400 -0.733 0.000 2.493 379 D HA 0.254 4.894 4.640 0.000 0.000 0.235 379 D C -2.160 173.517 176.300 -1.039 0.000 1.117 379 D CA -2.379 51.235 54.000 -0.643 0.000 0.930 379 D CB 1.248 41.858 40.800 -0.317 0.000 1.010 379 D HN 0.083 nan 8.370 nan 0.000 0.514 380 P HA 0.014 nan 4.420 nan 0.000 0.267 380 P C -0.330 176.679 177.300 -0.484 0.000 1.200 380 P CA -0.066 62.380 63.100 -1.091 0.000 0.772 380 P CB 0.460 31.761 31.700 -0.665 0.000 0.855 381 N N 0.769 119.307 118.700 -0.271 0.000 2.705 381 N HA -0.168 4.572 4.740 0.000 0.000 0.255 381 N C 0.861 176.298 175.510 -0.121 0.000 1.008 381 N CA 1.338 54.317 53.050 -0.118 0.000 0.742 381 N CB -1.732 36.699 38.487 -0.093 0.000 0.906 381 N HN 0.810 nan 8.380 nan 0.000 0.541 382 G N -1.902 106.830 108.800 -0.113 0.000 3.443 382 G HA2 0.003 3.963 3.960 0.000 0.000 0.252 382 G HA3 0.003 3.963 3.960 0.000 0.000 0.252 382 G C 0.798 175.709 174.900 0.019 0.000 1.015 382 G CA -0.056 44.987 45.100 -0.096 0.000 0.891 382 G HN 0.463 nan 8.290 nan 0.000 0.510 383 W N 2.456 123.706 121.300 -0.084 0.000 2.576 383 W HA 0.024 4.684 4.660 0.000 0.000 0.275 383 W C 1.491 178.025 176.519 0.025 0.000 1.241 383 W CA 1.766 59.093 57.345 -0.029 0.000 1.328 383 W CB 0.155 29.587 29.460 -0.047 0.000 1.092 383 W HN 0.210 nan 8.180 nan 0.000 0.586 384 T N -2.273 112.425 114.554 0.240 0.000 2.969 384 T HA 0.141 4.491 4.350 0.000 0.000 0.250 384 T C 0.290 175.034 174.700 0.075 0.000 1.021 384 T CA 0.038 62.245 62.100 0.179 0.000 1.003 384 T CB 0.394 69.390 68.868 0.213 0.000 1.040 384 T HN -0.251 nan 8.240 nan 0.000 0.492 385 E N 2.159 122.379 120.200 0.034 0.000 2.214 385 E HA 0.455 4.805 4.350 0.000 0.000 0.274 385 E C -0.876 175.697 176.600 -0.045 0.000 0.977 385 E CA -0.385 56.011 56.400 -0.008 0.000 0.827 385 E CB 1.724 31.410 29.700 -0.022 0.000 1.130 385 E HN 0.115 nan 8.360 nan 0.000 0.394 386 T N 3.136 117.661 114.554 -0.049 0.000 2.733 386 T HA 0.389 4.739 4.350 0.000 0.000 0.294 386 T C -0.434 174.215 174.700 -0.086 0.000 0.956 386 T CA -0.486 61.569 62.100 -0.075 0.000 0.987 386 T CB 0.574 69.410 68.868 -0.054 0.000 0.920 386 T HN 0.239 nan 8.240 nan 0.000 0.470 387 D N 0.949 121.276 120.400 -0.121 0.000 3.158 387 D HA 0.531 5.172 4.640 0.000 0.000 0.314 387 D C 0.397 176.613 176.300 -0.140 0.000 1.308 387 D CA -0.570 53.366 54.000 -0.108 0.000 1.001 387 D CB 1.524 42.267 40.800 -0.094 0.000 1.389 387 D HN 0.352 nan 8.370 nan 0.000 0.595 388 S N -1.071 114.574 115.700 -0.092 0.000 2.560 388 S HA 0.093 4.564 4.470 0.000 0.000 0.281 388 S C 0.144 174.780 174.600 0.059 0.000 1.075 388 S CA -0.312 57.846 58.200 -0.071 0.000 1.295 388 S CB 0.629 63.799 63.200 -0.049 0.000 1.156 388 S HN 0.430 nan 8.310 nan 0.000 0.627 389 S N 2.464 118.168 115.700 0.008 0.000 2.585 389 S HA 0.832 5.302 4.470 0.000 0.000 0.277 389 S C -0.468 174.149 174.600 0.028 0.000 1.241 389 S CA -0.675 57.508 58.200 -0.029 0.000 1.041 389 S CB 0.677 63.802 63.200 -0.124 0.000 0.987 389 S HN 0.439 nan 8.310 nan 0.000 0.512 390 F N -1.482 118.360 119.950 -0.180 0.000 2.745 390 F HA 0.706 5.233 4.527 0.000 0.000 0.316 390 F C 0.579 176.271 175.800 -0.180 0.000 1.155 390 F CA -0.927 56.926 58.000 -0.245 0.000 0.937 390 F CB 0.853 39.703 39.000 -0.250 0.000 1.361 390 F HN 0.460 nan 8.300 nan 0.000 0.472 391 S N -0.701 114.893 115.700 -0.177 0.000 2.497 391 S HA 0.446 4.916 4.470 0.000 0.000 0.221 391 S C 0.172 174.786 174.600 0.023 0.000 1.037 391 S CA 0.312 58.425 58.200 -0.145 0.000 0.920 391 S CB 0.345 63.520 63.200 -0.042 0.000 0.800 391 S HN 0.464 nan 8.310 nan 0.000 0.505 395 Q N 4.031 124.032 119.800 0.335 0.000 2.341 395 Q HA 0.236 4.576 4.340 0.000 0.000 0.268 395 Q C -1.073 175.082 176.000 0.258 0.000 1.013 395 Q CA -0.711 55.289 55.803 0.328 0.000 0.798 395 Q CB 1.195 30.189 28.738 0.426 0.000 1.253 395 Q HN 0.459 nan 8.270 nan 0.000 0.457 396 D N 4.753 125.307 120.400 0.258 0.000 2.390 396 D HA 0.112 4.752 4.640 0.000 0.000 0.249 396 D C 0.594 177.103 176.300 0.348 0.000 1.144 396 D CA 0.396 54.543 54.000 0.245 0.000 0.880 396 D CB 1.265 42.195 40.800 0.217 0.000 1.182 396 D HN 0.629 nan 8.370 nan 0.000 0.451 397 I N 0.630 121.412 120.570 0.352 0.000 3.812 397 I HA 0.007 4.177 4.170 0.000 0.000 0.292 397 I C 0.033 176.475 176.117 0.541 0.000 1.206 397 I CA 0.338 61.927 61.300 0.482 0.000 1.370 397 I CB 0.817 39.042 38.000 0.375 0.000 1.328 397 I HN 0.068 nan 8.210 nan 0.000 0.453 398 V N 1.494 121.644 119.914 0.394 0.000 2.612 398 V HA 0.568 4.688 4.120 0.000 0.000 0.301 398 V C 0.002 176.197 176.094 0.168 0.000 1.059 398 V CA -1.182 61.293 62.300 0.292 0.000 0.886 398 V CB 1.526 33.553 31.823 0.340 0.000 1.007 398 V HN 0.199 nan 8.190 nan 0.000 0.426 399 A N 4.301 127.160 122.820 0.065 0.000 2.492 399 A HA 0.377 4.697 4.320 0.000 0.000 0.236 399 A C 1.197 178.779 177.584 -0.003 0.000 1.078 399 A CA 0.181 52.225 52.037 0.012 0.000 0.773 399 A CB 0.014 18.984 19.000 -0.050 0.000 1.023 399 A HN 0.863 nan 8.150 nan 0.000 0.504 400 I N 0.662 121.218 120.570 -0.023 0.000 2.493 400 I HA -0.189 3.981 4.170 0.000 0.000 0.254 400 I C 2.352 178.386 176.117 -0.139 0.000 1.160 400 I CA 1.738 63.005 61.300 -0.056 0.000 1.445 400 I CB -0.698 37.276 38.000 -0.044 0.000 1.086 400 I HN 0.858 nan 8.210 nan 0.000 0.433 401 T N -2.977 111.496 114.554 -0.135 0.000 3.118 401 T HA 0.038 4.388 4.350 0.000 0.000 0.260 401 T C 0.570 175.101 174.700 -0.282 0.000 1.139 401 T CA 0.278 62.262 62.100 -0.194 0.000 1.085 401 T CB -0.256 68.537 68.868 -0.124 0.000 0.934 401 T HN 0.160 nan 8.240 nan 0.000 0.518 402 D N 0.107 120.368 120.400 -0.232 0.000 2.340 402 D HA 0.307 4.947 4.640 0.000 0.000 0.240 402 D C -0.894 175.293 176.300 -0.187 0.000 1.001 402 D CA -0.670 53.202 54.000 -0.212 0.000 0.888 402 D CB 1.289 42.069 40.800 -0.035 0.000 1.310 402 D HN 0.358 nan 8.370 nan 0.000 0.474 403 W N 1.328 122.679 121.300 0.084 0.000 2.218 403 W HA 0.220 4.880 4.660 0.000 0.000 0.326 403 W C 1.321 177.924 176.519 0.140 0.000 1.276 403 W CA -0.229 57.177 57.345 0.101 0.000 1.210 403 W CB 0.674 30.176 29.460 0.070 0.000 1.143 403 W HN 0.282 nan 8.180 nan 0.000 0.563 404 S N 1.461 117.424 115.700 0.439 0.000 3.986 404 S HA 0.978 5.448 4.470 0.000 0.000 0.228 404 S C 0.233 175.050 174.600 0.361 0.000 1.044 404 S CA -0.164 58.255 58.200 0.366 0.000 1.556 404 S CB 1.380 64.823 63.200 0.404 0.000 1.056 404 S HN 0.944 nan 8.310 nan 0.000 0.715 405 G N -0.538 108.485 108.800 0.371 0.000 2.564 405 G HA2 0.295 4.255 3.960 0.000 0.000 0.139 405 G HA3 0.295 4.255 3.960 0.000 0.000 0.139 405 G C -1.707 173.488 174.900 0.492 0.000 1.147 405 G CA -0.726 44.606 45.100 0.386 0.000 1.031 405 G HN 0.537 nan 8.290 nan 0.000 0.482 406 Y N 1.716 122.187 120.300 0.285 0.000 2.550 406 Y HA 0.510 5.060 4.550 0.000 0.000 0.343 406 Y C 1.200 177.235 175.900 0.224 0.000 1.245 406 Y CA -0.258 58.024 58.100 0.303 0.000 1.462 406 Y CB 1.136 39.854 38.460 0.430 0.000 1.340 406 Y HN 0.803 nan 8.280 nan 0.000 0.604 407 S N 0.494 116.229 115.700 0.059 0.000 2.541 407 S HA 0.916 5.386 4.470 0.000 0.000 0.271 407 S C -0.585 173.444 174.600 -0.951 0.000 1.133 407 S CA -0.370 57.524 58.200 -0.510 0.000 0.876 407 S CB 2.005 65.190 63.200 -0.024 0.000 1.105 407 S HN 0.989 nan 8.310 nan 0.000 0.470 408 G N 0.691 108.240 108.800 -2.086 0.000 2.694 408 G HA2 0.683 4.643 3.960 0.000 0.000 0.290 408 G HA3 0.683 4.643 3.960 0.000 0.000 0.290 408 G C -0.801 173.434 174.900 -1.109 0.000 1.386 408 G CA -0.537 43.837 45.100 -1.210 0.000 0.872 408 G HN 1.394 nan 8.290 nan 0.000 0.475 409 S N -0.902 114.560 115.700 -0.395 0.000 2.578 409 S HA 0.854 5.324 4.470 0.000 0.000 0.283 409 S C -0.663 174.151 174.600 0.357 0.000 1.195 409 S CA -0.678 57.402 58.200 -0.200 0.000 1.050 409 S CB 1.162 64.251 63.200 -0.185 0.000 1.012 409 S HN 1.524 nan 8.310 nan 0.000 0.511 410 F N -0.003 120.131 119.950 0.306 0.000 2.608 410 F HA 0.827 5.354 4.527 0.000 0.000 0.309 410 F C -1.067 174.914 175.800 0.300 0.000 1.103 410 F CA -1.157 57.060 58.000 0.362 0.000 0.954 410 F CB 0.544 39.809 39.000 0.442 0.000 1.267 410 F HN 0.461 nan 8.300 nan 0.000 0.444 411 V N 2.671 122.823 119.914 0.397 0.000 4.876 411 V HA 0.576 4.696 4.120 0.000 0.000 0.280 411 V C 0.475 176.695 176.094 0.210 0.000 1.427 411 V CA 0.062 62.482 62.300 0.201 0.000 0.805 411 V CB 1.139 33.099 31.823 0.227 0.000 1.337 411 V HN 1.263 nan 8.190 nan 0.000 0.439 412 L N -1.474 119.780 121.223 0.052 0.000 2.099 412 L HA -0.210 4.130 4.340 0.000 0.000 0.484 412 L C 1.282 178.168 176.870 0.027 0.000 0.718 412 L CA 2.577 57.441 54.840 0.040 0.000 3.119 412 L CB -1.869 40.220 42.059 0.051 0.000 0.745 412 L HN 0.705 nan 8.230 nan 0.000 0.741 413 T N -0.425 114.143 114.554 0.023 0.000 3.031 413 T HA 0.469 4.819 4.350 0.000 0.000 0.254 413 T C 1.458 176.162 174.700 0.006 0.000 1.060 413 T CA 1.224 63.330 62.100 0.010 0.000 1.135 413 T CB 0.106 68.971 68.868 -0.005 0.000 0.896 413 T HN 1.475 nan 8.240 nan 0.000 0.472 414 G N 1.043 109.848 108.800 0.009 0.000 2.159 414 G HA2 -0.203 3.757 3.960 0.000 0.000 0.256 414 G HA3 -0.203 3.757 3.960 0.000 0.000 0.256 414 G C -0.030 174.869 174.900 -0.001 0.000 0.977 414 G CA -0.101 45.003 45.100 0.007 0.000 0.652 414 G HN 0.406 nan 8.290 nan 0.000 0.531 415 L N 1.575 122.794 121.223 -0.007 0.000 2.456 415 L HA 0.458 4.798 4.340 0.000 0.000 0.257 415 L C 1.499 178.362 176.870 -0.012 0.000 1.162 415 L CA 0.386 55.216 54.840 -0.017 0.000 0.808 415 L CB 0.810 42.851 42.059 -0.029 0.000 1.136 415 L HN 0.311 nan 8.230 nan 0.000 0.466 416 D N -0.382 120.008 120.400 -0.016 0.000 2.328 416 D HA 0.047 4.687 4.640 0.000 0.000 0.221 416 D C -0.006 176.285 176.300 -0.015 0.000 1.072 416 D CA -0.055 53.938 54.000 -0.012 0.000 0.850 416 D CB -0.116 40.677 40.800 -0.012 0.000 0.922 416 D HN 0.422 nan 8.370 nan 0.000 0.516 417 c N -1.311 117.275 118.600 -0.023 0.000 3.285 417 c HA 0.716 5.286 4.570 0.000 0.000 0.320 417 c C -0.183 173.888 174.090 -0.032 0.000 1.411 417 c CA -1.344 54.968 56.329 -0.028 0.000 1.429 417 c CB 0.688 43.175 42.510 -0.038 0.000 1.812 417 c HN 0.079 nan 8.230 nan 0.000 0.454 418 I N 2.211 122.759 120.570 -0.037 0.000 2.325 418 I HA 0.296 4.467 4.170 0.000 0.000 0.291 418 I C 0.567 176.631 176.117 -0.089 0.000 1.019 418 I CA -0.083 61.198 61.300 -0.033 0.000 1.302 418 I CB 0.490 38.492 38.000 0.004 0.000 1.401 418 I HN 0.536 nan 8.210 nan 0.000 0.485 419 R N 8.350 128.791 120.500 -0.099 0.000 2.343 419 R HA 0.216 4.556 4.340 0.000 0.000 0.326 419 R C -2.355 173.794 176.300 -0.253 0.000 1.055 419 R CA -1.381 54.615 56.100 -0.174 0.000 0.961 419 R CB 0.511 30.720 30.300 -0.152 0.000 0.978 419 R HN 0.318 nan 8.270 nan 0.000 0.443 420 P HA 0.217 nan 4.420 nan 0.000 0.286 420 P C -0.590 176.502 177.300 -0.347 0.000 1.269 420 P CA -0.358 62.375 63.100 -0.611 0.000 0.787 420 P CB 1.136 32.136 31.700 -1.166 0.000 0.920 421 c N 3.396 121.800 118.600 -0.326 0.000 3.285 421 c HA 0.845 5.415 4.570 0.000 0.000 0.320 421 c C -0.495 173.436 174.090 -0.265 0.000 1.411 421 c CA -0.404 55.672 56.329 -0.422 0.000 1.429 421 c CB 1.395 43.062 42.510 -1.405 0.000 1.812 421 c HN 0.722 nan 8.230 nan 0.000 0.454 422 F N -0.513 119.249 119.950 -0.313 0.000 2.668 422 F HA 0.833 5.360 4.527 0.000 0.000 0.309 422 F C -1.561 174.327 175.800 0.147 0.000 1.117 422 F CA -1.215 56.573 58.000 -0.354 0.000 0.951 422 F CB 0.914 39.276 39.000 -1.064 0.000 1.323 422 F HN 0.841 nan 8.300 nan 0.000 0.451 423 W N 1.802 123.237 121.300 0.225 0.000 2.819 423 W HA 0.830 5.490 4.660 0.000 0.000 0.337 423 W C -2.301 174.310 176.519 0.154 0.000 1.077 423 W CA -1.579 55.867 57.345 0.169 0.000 1.226 423 W CB 1.032 30.602 29.460 0.183 0.000 1.419 423 W HN 0.528 nan 8.180 nan 0.000 0.502 424 V N 2.132 122.260 119.914 0.357 0.000 2.495 424 V HA 0.201 4.321 4.120 0.000 0.000 0.298 424 V C -0.083 176.234 176.094 0.373 0.000 1.031 424 V CA -0.780 61.602 62.300 0.138 0.000 0.871 424 V CB 1.625 33.312 31.823 -0.226 0.000 0.988 424 V HN 0.642 nan 8.190 nan 0.000 0.432 425 E N 4.707 125.181 120.200 0.457 0.000 2.229 425 E HA 0.413 4.764 4.350 0.000 0.000 0.283 425 E C -1.179 175.585 176.600 0.274 0.000 1.030 425 E CA -0.543 56.093 56.400 0.393 0.000 0.836 425 E CB 0.954 30.935 29.700 0.468 0.000 1.068 425 E HN 0.650 nan 8.360 nan 0.000 0.401 426 L N 7.037 128.392 121.223 0.219 0.000 2.314 426 L HA 0.369 4.709 4.340 0.000 0.000 0.275 426 L C -0.157 176.820 176.870 0.177 0.000 1.068 426 L CA -0.579 54.392 54.840 0.219 0.000 0.894 426 L CB 0.306 42.490 42.059 0.208 0.000 1.275 426 L HN 0.549 nan 8.230 nan 0.000 0.432 427 I N 3.758 124.429 120.570 0.169 0.000 2.471 427 I HA 0.224 4.394 4.170 0.000 0.000 0.286 427 I C 0.265 176.367 176.117 -0.025 0.000 1.079 427 I CA -0.101 61.238 61.300 0.066 0.000 1.398 427 I CB 0.333 38.351 38.000 0.030 0.000 1.403 427 I HN 0.487 nan 8.210 nan 0.000 0.530 428 R N 4.235 124.683 120.500 -0.087 0.000 2.807 428 R HA 0.800 5.140 4.340 0.000 0.000 0.276 428 R C 0.137 176.164 176.300 -0.455 0.000 0.979 428 R CA -0.498 55.459 56.100 -0.239 0.000 0.928 428 R CB 1.630 31.884 30.300 -0.077 0.000 1.191 428 R HN 0.906 nan 8.270 nan 0.000 0.471 429 G N 1.597 109.985 108.800 -0.687 0.000 2.445 429 G HA2 -0.210 3.751 3.960 0.000 0.000 0.212 429 G HA3 -0.210 3.751 3.960 0.000 0.000 0.212 429 G C -0.899 173.638 174.900 -0.605 0.000 1.217 429 G CA -0.782 43.784 45.100 -0.889 0.000 1.002 429 G HN 0.485 nan 8.290 nan 0.000 0.574 430 R N 1.532 121.739 120.500 -0.489 0.000 2.679 430 R HA 0.383 4.723 4.340 0.000 0.000 0.269 430 R C -1.163 174.975 176.300 -0.271 0.000 1.076 430 R CA -0.612 55.291 56.100 -0.327 0.000 1.160 430 R CB 0.741 30.902 30.300 -0.232 0.000 1.054 430 R HN 0.439 nan 8.270 nan 0.000 0.507 431 P HA 0.011 nan 4.420 nan 0.000 0.251 431 P C -0.064 177.098 177.300 -0.231 0.000 1.223 431 P CA 0.659 63.646 63.100 -0.189 0.000 0.796 431 P CB 0.510 32.141 31.700 -0.115 0.000 1.068 432 K N 0.262 120.439 120.400 -0.372 0.000 2.459 432 K HA 0.143 4.463 4.320 0.000 0.000 0.193 432 K C 0.804 177.178 176.600 -0.377 0.000 1.030 432 K CA 0.502 56.523 56.287 -0.444 0.000 1.026 432 K CB 0.558 32.444 32.500 -1.023 0.000 0.809 432 K HN 0.420 nan 8.250 nan 0.000 0.504 436 T N -0.682 113.691 114.554 -0.302 0.000 2.888 436 T HA 0.751 5.101 4.350 0.000 0.000 0.288 436 T C 1.161 175.672 174.700 -0.315 0.000 1.063 436 T CA -0.547 61.315 62.100 -0.397 0.000 1.010 436 T CB 1.109 69.395 68.868 -0.971 0.000 1.214 436 T HN 0.892 nan 8.240 nan 0.000 0.533 437 I N -2.369 118.088 120.570 -0.188 0.000 3.860 437 I HA 0.437 4.607 4.170 0.000 0.000 0.319 437 I C 0.374 176.502 176.117 0.020 0.000 1.279 437 I CA -0.878 60.405 61.300 -0.028 0.000 1.220 437 I CB 0.058 38.121 38.000 0.105 0.000 1.027 437 I HN 0.607 nan 8.210 nan 0.000 0.428 438 W N 0.945 122.206 121.300 -0.066 0.000 2.894 438 W HA 0.759 5.419 4.660 0.000 0.000 0.345 438 W C -1.180 175.279 176.519 -0.101 0.000 1.152 438 W CA -1.097 56.207 57.345 -0.068 0.000 1.089 438 W CB 0.409 29.832 29.460 -0.062 0.000 1.454 438 W HN -0.307 nan 8.180 nan 0.000 0.589 439 T N 1.568 116.239 114.554 0.195 0.000 2.971 439 T HA 0.478 4.828 4.350 0.000 0.000 0.304 439 T C -1.223 173.610 174.700 0.221 0.000 1.038 439 T CA -0.323 61.808 62.100 0.052 0.000 1.007 439 T CB 1.887 70.732 68.868 -0.038 0.000 1.055 439 T HN 0.599 nan 8.240 nan 0.000 0.451 440 S N 1.107 116.933 115.700 0.211 0.000 2.595 440 S HA 0.831 5.301 4.470 0.000 0.000 0.270 440 S C -1.296 173.373 174.600 0.114 0.000 1.145 440 S CA -0.378 57.922 58.200 0.167 0.000 0.825 440 S CB 1.506 64.822 63.200 0.194 0.000 1.107 440 S HN 1.166 nan 8.310 nan 0.000 0.461 441 G N 1.049 109.888 108.800 0.065 0.000 2.659 441 G HA2 0.614 4.574 3.960 0.000 0.000 0.296 441 G HA3 0.614 4.574 3.960 0.000 0.000 0.296 441 G C -0.765 174.161 174.900 0.044 0.000 1.369 441 G CA -0.403 44.738 45.100 0.068 0.000 0.937 441 G HN 0.723 nan 8.290 nan 0.000 0.485 442 S N -0.815 114.930 115.700 0.074 0.000 2.646 442 S HA 0.822 5.292 4.470 0.000 0.000 0.273 442 S C 0.446 175.088 174.600 0.070 0.000 1.168 442 S CA -0.024 58.207 58.200 0.053 0.000 1.013 442 S CB 1.210 64.461 63.200 0.085 0.000 1.098 442 S HN 1.516 nan 8.310 nan 0.000 0.544 443 S N -0.190 115.544 115.700 0.057 0.000 2.550 443 S HA 0.740 5.210 4.470 0.000 0.000 0.270 443 S C -1.078 173.561 174.600 0.066 0.000 1.145 443 S CA -0.976 57.278 58.200 0.090 0.000 0.852 443 S CB 0.684 63.902 63.200 0.030 0.000 1.119 443 S HN 0.771 nan 8.310 nan 0.000 0.465 444 I N -0.557 120.074 120.570 0.100 0.000 2.994 444 I HA 0.924 5.094 4.170 0.000 0.000 0.306 444 I C -0.757 175.342 176.117 -0.029 0.000 1.195 444 I CA -0.945 60.337 61.300 -0.029 0.000 1.001 444 I CB 2.236 40.250 38.000 0.024 0.000 1.244 444 I HN 0.921 nan 8.210 nan 0.000 0.437 445 S N 2.078 117.600 115.700 -0.297 0.000 2.556 445 S HA 0.842 5.312 4.470 0.000 0.000 0.271 445 S C -1.340 172.903 174.600 -0.595 0.000 1.135 445 S CA -0.598 57.513 58.200 -0.149 0.000 0.858 445 S CB 1.813 65.183 63.200 0.283 0.000 1.114 445 S HN 0.579 nan 8.310 nan 0.000 0.468 446 F N -0.536 119.129 119.950 -0.475 0.000 2.629 446 F HA 0.817 5.345 4.527 0.000 0.000 0.316 446 F C -0.025 175.633 175.800 -0.238 0.000 1.081 446 F CA -0.903 56.883 58.000 -0.356 0.000 0.954 446 F CB 1.657 40.377 39.000 -0.466 0.000 1.337 446 F HN 0.840 nan 8.300 nan 0.000 0.474 447 c N 0.313 119.000 118.600 0.145 0.000 2.889 447 c HA 0.657 5.227 4.570 0.000 0.000 0.307 447 c C 1.492 175.551 174.090 -0.053 0.000 1.251 447 c CA -0.274 56.052 56.329 -0.006 0.000 1.593 447 c CB 1.300 43.651 42.510 -0.265 0.000 2.104 447 c HN 1.087 nan 8.230 nan 0.000 0.476 448 G N 0.876 109.478 108.800 -0.330 0.000 2.976 448 G HA2 0.059 4.019 3.960 0.000 0.000 0.211 448 G HA3 0.059 4.019 3.960 0.000 0.000 0.211 448 G C 0.255 174.781 174.900 -0.624 0.000 1.319 448 G CA 1.824 46.476 45.100 -0.746 0.000 0.773 448 G HN 1.558 nan 8.290 nan 0.000 0.769 449 V N -0.823 118.852 119.914 -0.400 0.000 3.345 449 V HA -0.172 3.948 4.120 0.000 0.000 0.481 449 V C 0.737 176.661 176.094 -0.283 0.000 0.682 449 V CA 0.538 62.667 62.300 -0.284 0.000 2.024 449 V CB -1.056 30.638 31.823 -0.214 0.000 2.475 449 V HN 0.784 nan 8.190 nan 0.000 0.501 450 N N 1.500 120.085 118.700 -0.192 0.000 2.220 450 N HA 0.012 4.752 4.740 0.000 0.000 0.182 450 N C 1.169 176.608 175.510 -0.120 0.000 1.023 450 N CA 1.151 54.107 53.050 -0.158 0.000 0.856 450 N CB -0.061 38.357 38.487 -0.114 0.000 0.997 450 N HN 1.057 nan 8.380 nan 0.000 0.429 451 S N -0.077 115.569 115.700 -0.090 0.000 2.658 451 S HA 0.025 4.495 4.470 0.000 0.000 0.249 451 S C 0.076 174.643 174.600 -0.055 0.000 1.363 451 S CA -0.428 57.738 58.200 -0.057 0.000 0.964 451 S CB 0.294 63.472 63.200 -0.037 0.000 0.973 451 S HN 0.216 nan 8.310 nan 0.000 0.588 452 D N -1.295 119.092 120.400 -0.022 0.000 2.326 452 D HA 0.663 5.303 4.640 0.000 0.000 0.251 452 D C 0.095 176.412 176.300 0.029 0.000 1.023 452 D CA -0.300 53.700 54.000 -0.001 0.000 0.966 452 D CB 1.683 42.493 40.800 0.018 0.000 1.156 452 D HN 0.646 nan 8.370 nan 0.000 0.494 453 T N -0.473 114.121 114.554 0.066 0.000 2.619 453 T HA 0.700 5.050 4.350 0.000 0.000 0.244 453 T C -0.857 173.934 174.700 0.152 0.000 0.893 453 T CA -0.634 61.539 62.100 0.122 0.000 1.093 453 T CB 0.820 69.789 68.868 0.169 0.000 1.567 453 T HN 0.253 nan 8.240 nan 0.000 0.549 454 V N -0.239 119.814 119.914 0.231 0.000 2.924 454 V HA 0.700 4.820 4.120 0.000 0.000 0.300 454 V C 0.261 176.571 176.094 0.359 0.000 1.227 454 V CA -1.261 61.174 62.300 0.224 0.000 0.954 454 V CB 1.410 33.309 31.823 0.127 0.000 1.055 454 V HN 1.123 nan 8.190 nan 0.000 0.429 455 G N 0.679 109.669 108.800 0.317 0.000 2.572 455 G HA2 0.568 4.528 3.960 0.000 0.000 0.261 455 G HA3 0.568 4.528 3.960 0.000 0.000 0.261 455 G C -1.211 173.957 174.900 0.446 0.000 1.197 455 G CA 0.152 45.491 45.100 0.397 0.000 0.870 455 G HN 0.927 nan 8.290 nan 0.000 0.548 456 W N -1.369 120.026 121.300 0.158 0.000 2.685 456 W HA 0.480 5.140 4.660 0.000 0.000 0.451 456 W C -1.104 175.353 176.519 -0.104 0.000 0.878 456 W CA -0.712 56.544 57.345 -0.148 0.000 1.202 456 W CB 0.616 29.684 29.460 -0.653 0.000 1.442 456 W HN 0.752 nan 8.180 nan 0.000 0.616 457 S N 1.439 116.798 115.700 -0.569 0.000 2.672 457 S HA 0.562 5.032 4.470 0.000 0.000 0.291 457 S C -1.514 172.738 174.600 -0.579 0.000 1.145 457 S CA -0.417 57.560 58.200 -0.371 0.000 1.013 457 S CB 0.390 63.366 63.200 -0.373 0.000 1.017 457 S HN 0.329 nan 8.310 nan 0.000 0.487 458 W N 6.737 128.074 121.300 0.061 0.000 1.993 458 W HA 0.278 4.938 4.660 0.000 0.000 0.288 458 W C -2.542 174.029 176.519 0.087 0.000 0.844 458 W CA -1.751 55.647 57.345 0.089 0.000 2.039 458 W CB 0.723 30.344 29.460 0.268 0.000 2.270 458 W HN 0.530 nan 8.180 nan 0.000 0.389 459 P HA -0.054 nan 4.420 nan 0.000 0.273 459 P C 0.973 178.367 177.300 0.157 0.000 1.250 459 P CA 0.312 63.496 63.100 0.140 0.000 0.793 459 P CB 1.622 33.350 31.700 0.047 0.000 1.011 460 D N 0.962 121.463 120.400 0.168 0.000 2.092 460 D HA -0.184 4.456 4.640 0.000 0.000 0.193 460 D C 1.212 177.593 176.300 0.136 0.000 0.994 460 D CA 2.297 56.392 54.000 0.159 0.000 0.828 460 D CB -0.711 40.194 40.800 0.175 0.000 0.963 460 D HN 0.703 nan 8.370 nan 0.000 0.450 461 G N 0.308 109.185 108.800 0.128 0.000 2.141 461 G HA2 -0.113 3.848 3.960 0.000 0.000 0.242 461 G HA3 -0.113 3.848 3.960 0.000 0.000 0.242 461 G C 0.282 175.263 174.900 0.135 0.000 0.982 461 G CA 0.662 45.827 45.100 0.108 0.000 0.662 461 G HN 0.795 nan 8.290 nan 0.000 0.527 462 A N -0.080 122.845 122.820 0.175 0.000 2.310 462 A HA 0.709 5.029 4.320 0.000 0.000 0.299 462 A C 0.245 177.978 177.584 0.250 0.000 1.147 462 A CA -0.301 51.883 52.037 0.244 0.000 0.818 462 A CB 0.581 19.763 19.000 0.303 0.000 1.096 462 A HN 0.391 nan 8.150 nan 0.000 0.495 463 E N 1.789 122.168 120.200 0.298 0.000 2.089 463 E HA 0.399 4.749 4.350 0.000 0.000 0.284 463 E C -0.866 175.950 176.600 0.359 0.000 1.023 463 E CA -0.020 56.533 56.400 0.255 0.000 0.819 463 E CB 0.812 30.623 29.700 0.185 0.000 1.076 463 E HN 0.523 nan 8.360 nan 0.000 0.396 464 L N 4.303 125.668 121.223 0.238 0.000 2.334 464 L HA 0.543 4.883 4.340 0.000 0.000 0.270 464 L C -1.556 175.409 176.870 0.159 0.000 1.018 464 L CA -1.993 52.972 54.840 0.208 0.000 0.811 464 L CB 0.733 42.797 42.059 0.009 0.000 1.271 464 L HN 0.435 nan 8.230 nan 0.000 0.443 465 P HA 0.313 nan 4.420 nan 0.000 0.276 465 P C -0.940 176.634 177.300 0.457 0.000 1.261 465 P CA -0.372 62.855 63.100 0.211 0.000 0.800 465 P CB 0.867 32.642 31.700 0.125 0.000 1.066 466 F N -0.586 119.525 119.950 0.268 0.000 2.321 466 F HA 0.173 4.700 4.527 0.000 0.000 0.318 466 F C 2.108 177.990 175.800 0.136 0.000 1.129 466 F CA -0.962 57.165 58.000 0.212 0.000 1.074 466 F CB -0.754 38.395 39.000 0.249 0.000 1.432 466 F HN 0.210 nan 8.300 nan 0.000 0.502 467 T N 2.038 116.712 114.554 0.201 0.000 3.118 467 T HA 0.053 4.403 4.350 0.000 0.000 0.269 467 T C 0.697 175.481 174.700 0.140 0.000 1.166 467 T CA 0.592 62.752 62.100 0.100 0.000 1.073 467 T CB -1.062 67.809 68.868 0.005 0.000 0.884 467 T HN 0.323 nan 8.240 nan 0.000 0.550 468 I N 0.000 120.722 120.570 0.253 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.450 61.300 0.249 0.000 1.566 468 I CB 0.000 38.099 38.000 0.165 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494